H1N

N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE

Created:2004-12-15
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count0
Bond Count73
Aromatic Bond Count22
2D diagram of H1N

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Chemical Component Summary

NameN-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE
SynonymsHESPERADIN
Systematic Name (OpenEye OEToolkits)N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]ethanesulfonamide
FormulaC29 H32 N4 O3 S
Molecular Weight516.654
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(Nc1ccc2c(c1)C(C(=O)N2)C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5)CC
SMILESCACTVS3.341CC[S](=O)(=O)Nc1ccc2NC(=O)[CH](c2c1)C(=Nc3ccc(CN4CCCCC4)cc3)c5ccccc5
SMILESOpenEye OEToolkits1.5.0CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)C(=Nc3ccc(cc3)CN4CCCCC4)c5ccccc5
Canonical SMILESCACTVS3.341 CC[S](=O)(=O)Nc1ccc2NC(=O)[C@@H](c2c1)C(=Nc3ccc(CN4CCCCC4)cc3)c5ccccc5
Canonical SMILESOpenEye OEToolkits1.5.0 CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5
InChIInChI1.03 InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,27,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b30-28+/t27-/m0/s1
InChIKeyInChI1.03 SGZZQKMOFHIDKW-MCKMWFOCSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04703 
NameHesperidin
Groups
  • investigational
  • approved
DescriptionHesperidin is a flavan-on glycoside found in citrus fruits.
Synonyms
  • Hesperidina
  • Hesperidin
  • (S)-(−)-hesperidin
  • Hesperetin 7-O-rutinoside
  • Cirantin
Brand Names
  • Bruselix Bruising
  • Rose Hips 500plus Nu Life
  • Cilobana Cpa Tab
  • Special C
Categories
  • Benzopyrans
  • Carbohydrates
  • Chromones
  • Flavanones
  • Flavonoids
CAS number520-26-3

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Voltage-dependent N-type calcium channel subunit alpha-1BMVRFGDELGGRYGGPGGGERARGGGAGGAGGPGPGGLQPGQRVLYKQSIA...unknowninhibitor
Aurora kinase BMAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPT...unknownregulator
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682