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

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[2-(4-phenylmethoxyphenyl)ethynyl-(phenylsulfonyl)amino]propanoate Openeye Name: methyl 2-[benzenesulfonyl-[2-(4-benzyloxyphenyl)ethynyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[benzenesulfonyl-[2-(4-phenylmethoxyphenyl)ethynyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[benzenesulfonyl-[2-(4-phenylmethoxyphenyl)ethynyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[2-(4-benzoxyphenyl)ethynyl-besyl-amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C33H28N2O5S MolecularWeight: 564.65082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)N(C#CC3=CC=C(C=C3)OCC4=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)OCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H28N2O5S/c1-39-33(36)32(22-27-23-34-31-15-9-8-14-30(27)31)35(41(37,38)29-12-6-3-7-13-29)21-20-25-16-18-28(19-17-25)40-24-26-10-4-2-5-11-26/h2-19,23,32,34H,22,24H2,1H3