4-[[1-[(3-cyanophenyl)methyl]-5-(2-cyclopentylethanoylamino)indol-3-yl]methyl]-3-methoxy-N-methylsulfonyl-benzamide

Systemtic Name: 4-[[1-[(3-cyanophenyl)methyl]-5-(2-cyclopentylethanoylamino)indol-3-yl]methyl]-3-methoxy-N-methylsulfonyl-benzamide Openeye Name: 4-[[1-[(3-cyanophenyl)methyl]-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxy-N-methylsulfonyl-benzamide CAS Name: 4-[[1-[(3-cyanophenyl)methyl]-5-[(2-cyclopentyl-1-oxoethyl)amino]-3-indolyl]methyl]-3-methoxy-N-methylsulfonylbenzamide IUPAC Name: 4-[[1-[(3-cyanophenyl)methyl]-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxy-N-methylsulfonylbenzamide Traditional Name: 4-[[1-(3-cyanobenzyl)-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-N-mesyl-3-methoxy-benzamide Formula: C33H34N4O5S MolecularWeight: 598.71186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C)CC2=CN(C3=C2C=C(C=C3)NC(=O)CC4CCCC4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C)CC2=CN(C3=C2C=C(C=C3)NC(=O)CC4CCCC4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C33H34N4O5S/c1-42-31-17-26(33(39)36-43(2,40)41)11-10-25(31)16-27-21-37(20-24-9-5-8-23(14-24)19-34)30-13-12-28(18-29(27)30)35-32(38)15-22-6-3-4-7-22/h5,8-14,17-18,21-22H,3-4,6-7,15-16,20H2,1-2H3,(H,35,38)(H,36,39)