2-[cyclopropyl-(4-methylphenyl)sulfonyl-amino]-N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]ethanamide

Systemtic Name: 2-[cyclopropyl-(4-methylphenyl)sulfonyl-amino]-N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]ethanamide Openeye Name: 2-[cyclopropyl(p-tolylsulfonyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide CAS Name: 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide IUPAC Name: 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide Traditional Name: 2-[cyclopropyl(tosyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-veratryl-acetamide Formula: C31H35N3O5S MolecularWeight: 561.6917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CCC2=CNC3=CC=CC=C32)CC4=CC(=C(C=C4)OC)OC)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CCC2=CNC3=CC=CC=C32)CC4=CC(=C(C=C4)OC)OC)C5CC5

InChI

InChI=1S/C31H35N3O5S/c1-22-8-13-26(14-9-22)40(36,37)34(25-11-12-25)21-31(35)33(20-23-10-15-29(38-2)30(18-23)39-3)17-16-24-19-32-28-7-5-4-6-27(24)28/h4-10,13-15,18-19,25,32H,11-12,16-17,20-21H2,1-3H3