1-[2-oxidanyl-2-(2-sulfophenyl)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 1-[2-oxidanyl-2-(2-sulfophenyl)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-[2-hydroxy-2-(2-sulfophenyl)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-[2-hydroxy-2-(2-sulfophenyl)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-[2-hydroxy-2-(2-sulfophenyl)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-[2-hydroxy-2-(2-sulfophenyl)ethyl]-3,4-dihydro-2H-$b-carboline-3-carboxylic acid Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=C2C1=C3C=CC=CC3=N2)CC(C4=CC=CC=C4S(=O)(=O)O)O)C(=O)O

Isomeric SMILES

C1C(NC(=C2C1=C3C=CC=CC3=N2)CC(C4=CC=CC=C4S(=O)(=O)O)O)C(=O)O

InChI

InChI=1S/C20H18N2O6S/c23-17(12-6-2-4-8-18(12)29(26,27)28)10-15-19-13(9-16(21-15)20(24)25)11-5-1-3-7-14(11)22-19/h1-8,16-17,21,23H,9-10H2,(H,24,25)(H,26,27,28)