methyl 4-acetamido-2-methoxy-5-[3-phenylsulfanyl-1-(phenylsulfonyl)indol-2-yl]carbonyl-benzoate

Systemtic Name: methyl 4-acetamido-2-methoxy-5-[3-phenylsulfanyl-1-(phenylsulfonyl)indol-2-yl]carbonyl-benzoate Openeye Name: methyl 4-acetamido-5-[1-(benzenesulfonyl)-3-phenylsulfanyl-indole-2-carbonyl]-2-methoxy-benzoate CAS Name: 4-acetamido-5-[[1-(benzenesulfonyl)-3-(phenylthio)-2-indolyl]-oxomethyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-acetamido-5-[1-(benzenesulfonyl)-3-phenylsulfanylindole-2-carbonyl]-2-methoxybenzoate Traditional Name: 4-acetamido-5-[1-besyl-3-(phenylthio)indole-2-carbonyl]-2-methoxy-benzoic acid methyl ester Formula: C32H26N2O7S2 MolecularWeight: 614.68804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1C(=O)C2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5)C(=O)OC)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1C(=O)C2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5)C(=O)OC)OC

InChI

InChI=1S/C32H26N2O7S2/c1-20(35)33-26-19-28(40-2)25(32(37)41-3)18-24(26)30(36)29-31(42-21-12-6-4-7-13-21)23-16-10-11-17-27(23)34(29)43(38,39)22-14-8-5-9-15-22/h4-19H,1-3H3,(H,33,35)