2-[8-methylsulfonyloxy-1-oxidanylidene-3-phenyl-9-(phenylmethyl)pyrido[3,4-b]indol-2-yl]ethanoic acid

Systemtic Name: 2-[8-methylsulfonyloxy-1-oxidanylidene-3-phenyl-9-(phenylmethyl)pyrido[3,4-b]indol-2-yl]ethanoic acid Openeye Name: 2-(9-benzyl-8-methylsulfonyloxy-1-oxo-3-phenyl-pyrido[3,4-b]indol-2-yl)acetic acid CAS Name: 2-[8-methylsulfonyloxy-1-oxo-3-phenyl-9-(phenylmethyl)-2-pyrido[3,4-b]indolyl]acetic acid IUPAC Name: 2-(9-benzyl-8-methylsulfonyloxy-1-oxo-3-phenylpyrido[3,4-b]indol-2-yl)acetic acid Traditional Name: 2-(9-benzyl-1-keto-8-methylsulfonyloxy-3-phenyl-$b-carbolin-2-yl)acetic acid Formula: C27H22N2O6S MolecularWeight: 502.53838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC2=C1N(C3=C2C=C(N(C3=O)CC(=O)O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC2=C1N(C3=C2C=C(N(C3=O)CC(=O)O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N2O6S/c1-36(33,34)35-23-14-8-13-20-21-15-22(19-11-6-3-7-12-19)28(17-24(30)31)27(32)26(21)29(25(20)23)16-18-9-4-2-5-10-18/h2-15H,16-17H2,1H3,(H,30,31)