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

Systemtic Name: methyl 4-acetamido-2-methoxy-5-[[3-phenylsulfanyl-1-(phenylsulfonyl)indol-2-yl]methyl]benzoate Openeye Name: methyl 4-acetamido-5-[[1-(benzenesulfonyl)-3-phenylsulfanyl-indol-2-yl]methyl]-2-methoxy-benzoate CAS Name: 4-acetamido-5-[[1-(benzenesulfonyl)-3-(phenylthio)-2-indolyl]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-acetamido-5-[[1-(benzenesulfonyl)-3-phenylsulfanylindol-2-yl]methyl]-2-methoxybenzoate Traditional Name: 4-acetamido-5-[[1-besyl-3-(phenylthio)indol-2-yl]methyl]-2-methoxy-benzoic acid methyl ester Formula: C32H28N2O6S2 MolecularWeight: 600.70452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)CC2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)CC2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C32H28N2O6S2/c1-21(35)33-27-20-30(39-2)26(32(36)40-3)18-22(27)19-29-31(41-23-12-6-4-7-13-23)25-16-10-11-17-28(25)34(29)42(37,38)24-14-8-5-9-15-24/h4-18,20H,19H2,1-3H3,(H,33,35)