2-[3-oxidanyl-3-oxidanylidene-2-(1-phenylmethoxycarbonylpiperidin-4-yl)propyl]sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid

Systemtic Name: 2-[3-oxidanyl-3-oxidanylidene-2-(1-phenylmethoxycarbonylpiperidin-4-yl)propyl]sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid Openeye Name: 2-[2-(1-benzyloxycarbonyl-4-piperidyl)-3-hydroxy-3-oxo-propyl]sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid CAS Name: 2-[3-hydroxy-3-oxo-2-(1-phenylmethoxycarbonyl-4-piperidinyl)propyl]sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid IUPAC Name: 2-[3-hydroxy-3-oxo-2-(1-phenylmethoxycarbonylpiperidin-4-yl)propyl]sulfonyl-3,4-dihydro-1H-pyrido[3,4-b]indole-9-carboxylic acid Traditional Name: 2-[2-(1-carbobenzoxy-4-piperidyl)-3-hydroxy-3-keto-propyl]sulfonyl-3,4-dihydro-1H-$b-carboline-9-carboxylic acid Formula: C28H31N3O8S MolecularWeight: 569.62604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(CS(=O)(=O)N2CCC3=C(C2)N(C4=CC=CC=C34)C(=O)O)C(=O)O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(CS(=O)(=O)N2CCC3=C(C2)N(C4=CC=CC=C34)C(=O)O)C(=O)O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O8S/c32-26(33)23(20-10-13-29(14-11-20)28(36)39-17-19-6-2-1-3-7-19)18-40(37,38)30-15-12-22-21-8-4-5-9-24(21)31(27(34)35)25(22)16-30/h1-9,20,23H,10-18H2,(H,32,33)(H,34,35)