SEH

S-BENZYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE

Created: 2004-10-08
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count30
Aromatic Bond Count6
2D diagram of SEH
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Chemical Component Summary

NameS-BENZYL PHENYLACETOTHIOHYDROXIMATE-O-SULFATE
SynonymsETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE
Systematic Name (OpenEye OEToolkits)[(1-ethylsulfanyl-2-phenyl-ethylidene)amino] hydrogen sulfate
FormulaC10 H13 N O4 S2
Molecular Weight275.345
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=S(=O)(O)O\N=C(/SCC)Cc1ccccc1
SMILESCACTVS3.341CCSC(Cc1ccccc1)=NO[S](O)(=O)=O
SMILESOpenEye OEToolkits1.5.0CCSC(=NOS(=O)(=O)O)Cc1ccccc1
Canonical SMILESCACTVS3.341 CCS\C(Cc1ccccc1)=N/O[S](O)(=O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1
InChIInChI1.03 InChI=1S/C10H13NO4S2/c1-2-16-10(11-15-17(12,13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13,14)/b11-10-
InChIKeyInChI1.03 VZFUNHITNWTQFU-KHPPLWFESA-N

Drug Info: DrugBank

DrugBank IDDB04779 
NameETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE
Groups experimental
SynonymsETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE

Drug Targets

NameTarget SequencePharmacological ActionActions
Lactase-phlorizin hydrolaseMELSWHVVFIALLSFSCWGSDWESDRNFISTAGPLTNDLLHNLSGLLGDQ...unknown
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

Related Resource References

Resource NameReference
PubChem 9600421