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

Systemtic Name: 5-(4-chlorophenyl)carbonyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-sulfonic acid Openeye Name: 5-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-sulfonic acid CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-sulfonic acid IUPAC Name: 5-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-sulfonic acid Traditional Name: 5-(4-chlorobenzoyl)-2-methyl-3,4-dihydro-1H-pyrid[4,3-b]indole-8-sulfonic acid Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O4S/c1-21-9-8-18-16(11-21)15-10-14(27(24,25)26)6-7-17(15)22(18)19(23)12-2-4-13(20)5-3-12/h2-7,10H,8-9,11H2,1H3,(H,24,25,26)