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

Systemtic Name: methyl 4-acetamido-2-methoxy-5-[[3-methyl-1-(phenylsulfonyl)indol-2-yl]methyl]benzoate Openeye Name: methyl 4-acetamido-5-[[1-(benzenesulfonyl)-3-methyl-indol-2-yl]methyl]-2-methoxy-benzoate CAS Name: 4-acetamido-5-[[1-(benzenesulfonyl)-3-methyl-2-indolyl]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-acetamido-5-[[1-(benzenesulfonyl)-3-methylindol-2-yl]methyl]-2-methoxybenzoate Traditional Name: 4-acetamido-5-[(1-besyl-3-methyl-indol-2-yl)methyl]-2-methoxy-benzoic acid methyl ester Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3)CC4=C(C=C(C(=C4)C(=O)OC)OC)NC(=O)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3)CC4=C(C=C(C(=C4)C(=O)OC)OC)NC(=O)C

InChI

InChI=1S/C27H26N2O6S/c1-17-21-12-8-9-13-24(21)29(36(32,33)20-10-6-5-7-11-20)25(17)15-19-14-22(27(31)35-4)26(34-3)16-23(19)28-18(2)30/h5-14,16H,15H2,1-4H3,(H,28,30)