2-methyl-5-(4-phenylphenyl)carbonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-sulfonic acid

Systemtic Name: 2-methyl-5-(4-phenylphenyl)carbonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-sulfonic acid Openeye Name: 2-methyl-5-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-sulfonic acid CAS Name: 2-methyl-5-[oxo-(4-phenylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-sulfonic acid IUPAC Name: 2-methyl-5-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-sulfonic acid Traditional Name: 2-methyl-5-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrid[4,3-b]indole-8-sulfonic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C3=C(N2C(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C=CC(=C3)S(=O)(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C3=C(N2C(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C=CC(=C3)S(=O)(=O)O

InChI

InChI=1S/C25H22N2O4S/c1-26-14-13-24-22(16-26)21-15-20(32(29,30)31)11-12-23(21)27(24)25(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,29,30,31)