4-[[5-(2-cyclopentylethanoylamino)-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]indol-3-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonyl-benzamide

Systemtic Name: 4-[[5-(2-cyclopentylethanoylamino)-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]indol-3-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonyl-benzamide Openeye Name: 4-[[5-[(2-cyclopentylacetyl)amino]-1-[2-(dimethylamino)-2-oxo-ethyl]indol-3-yl]methyl]-3-methoxy-N-(o-tolylsulfonyl)benzamide CAS Name: 4-[[5-[(2-cyclopentyl-1-oxoethyl)amino]-1-[2-(dimethylamino)-2-oxoethyl]-3-indolyl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide IUPAC Name: 4-[[5-[(2-cyclopentylacetyl)amino]-1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide Traditional Name: 4-[[5-[(2-cyclopentylacetyl)amino]-1-[2-(dimethylamino)-2-keto-ethyl]indol-3-yl]methyl]-3-methoxy-N-(o-tolylsulfonyl)benzamide Formula: C35H40N4O6S MolecularWeight: 644.7803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)CC5CCCC5)CC(=O)N(C)C)OC

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)CC5CCCC5)CC(=O)N(C)C)OC

InChI

InChI=1S/C35H40N4O6S/c1-23-9-5-8-12-32(23)46(43,44)37-35(42)26-14-13-25(31(19-26)45-4)18-27-21-39(22-34(41)38(2)3)30-16-15-28(20-29(27)30)36-33(40)17-24-10-6-7-11-24/h5,8-9,12-16,19-21,24H,6-7,10-11,17-18,22H2,1-4H3,(H,36,40)(H,37,42)