L7M

2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide

Created: 2017-11-10
Last modified:  2018-11-14

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count83
Chiral Atom Count0
Bond Count87
Aromatic Bond Count27
2D diagram of L7M
Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide
Systematic Name (OpenEye OEToolkits)2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]-~{N}-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butyl]ethanamide
FormulaC35 H37 Cl N4 O5 S
Molecular Weight661.21
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c2(c1c(ccc(OC)c1)n(c2C)C(c3ccc(cc3)Cl)=O)CC(NCCCCNS(c4cccc5c4cccc5N(C)C)(=O)=O)=O
SMILESCACTVS3.385COc1ccc2n(c(C)c(CC(=O)NCCCCN[S](=O)(=O)c3cccc4c(cccc34)N(C)C)c2c1)C(=O)c5ccc(Cl)cc5
SMILESOpenEye OEToolkits2.0.6Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNS(=O)(=O)c4cccc5c4cccc5N(C)C
Canonical SMILESCACTVS3.385 COc1ccc2n(c(C)c(CC(=O)NCCCCN[S](=O)(=O)c3cccc4c(cccc34)N(C)C)c2c1)C(=O)c5ccc(Cl)cc5
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNS(=O)(=O)c4cccc5c4cccc5N(C)C
InChIInChI1.03 InChI=1S/C35H37ClN4O5S/c1-23-29(30-21-26(45-4)17-18-32(30)40(23)35(42)24-13-15-25(36)16-14-24)22-34(41)37-19-5-6-20-38-46(43,44)33-12-8-9-27-28(33)10-7-11-31(27)39(2)3/h7-18,21,38H,5-6,19-20,22H2,1-4H3,(H,37,41)
InChIKeyInChI1.03 YGEBTZVDTLWCOG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 24824512