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

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[2-(4-phenylphenyl)ethynyl-(phenylsulfonyl)amino]propanoate Openeye Name: methyl 2-[benzenesulfonyl-[2-(4-phenylphenyl)ethynyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[benzenesulfonyl-[2-(4-phenylphenyl)ethynyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[benzenesulfonyl-[2-(4-phenylphenyl)ethynyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[besyl-[2-(4-phenylphenyl)ethynyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C32H26N2O4S MolecularWeight: 534.62484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)N(C#CC3=CC=C(C=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)N(C#CC3=CC=C(C=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H26N2O4S/c1-38-32(35)31(22-27-23-33-30-15-9-8-14-29(27)30)34(39(36,37)28-12-6-3-7-13-28)21-20-24-16-18-26(19-17-24)25-10-4-2-5-11-25/h2-19,23,31,33H,22H2,1H3