6-(azepan-1-ylsulfonyl)-2-(3-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(3-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(m-tolyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(3-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(3-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(m-tolyl)cinchoninic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C23H24N2O4S/c1-16-7-6-8-17(13-16)22-15-20(23(26)27)19-14-18(9-10-21(19)24-22)30(28,29)25-11-4-2-3-5-12-25/h6-10,13-15H,2-5,11-12H2,1H3,(H,26,27)