methyl 3-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethynyl-(phenylsulfonyl)amino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethynyl-(phenylsulfonyl)amino]propanoate Openeye Name: methyl 2-[benzenesulfonyl-[2-(p-tolyl)ethynyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[benzenesulfonyl-[2-(4-methylphenyl)ethynyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[benzenesulfonyl-[2-(4-methylphenyl)ethynyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[besyl-[2-(p-tolyl)ethynyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CN(C(CC2=CNC3=CC=CC=C32)C(=O)OC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C#CN(C(CC2=CNC3=CC=CC=C32)C(=O)OC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O4S/c1-20-12-14-21(15-13-20)16-17-29(34(31,32)23-8-4-3-5-9-23)26(27(30)33-2)18-22-19-28-25-11-7-6-10-24(22)25/h3-15,19,26,28H,18H2,1-2H3