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

Systemtic Name: 4-[[1-[(3-cyanophenyl)methyl]-5-(2-cyclopentylethanoylamino)indol-3-yl]methyl]-3-methoxy-N-propan-2-ylsulfonyl-benzamide Openeye Name: 4-[[1-[(3-cyanophenyl)methyl]-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-N-isopropylsulfonyl-3-methoxy-benzamide CAS Name: 4-[[1-[(3-cyanophenyl)methyl]-5-[(2-cyclopentyl-1-oxoethyl)amino]-3-indolyl]methyl]-3-methoxy-N-propan-2-ylsulfonylbenzamide IUPAC Name: 4-[[1-[(3-cyanophenyl)methyl]-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxy-N-propan-2-ylsulfonylbenzamide Traditional Name: 4-[[1-(3-cyanobenzyl)-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-N-isopropylsulfonyl-3-methoxy-benzamide Formula: C35H38N4O5S MolecularWeight: 626.76502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H38N4O5S/c1-23(2)45(42,43)38-35(41)28-12-11-27(33(18-28)44-3)17-29-22-39(21-26-10-6-9-25(15-26)20-36)32-14-13-30(19-31(29)32)37-34(40)16-24-7-4-5-8-24/h6,9-15,18-19,22-24H,4-5,7-8,16-17,21H2,1-3H3,(H,37,40)(H,38,41)