3-(azepan-1-ylcarbonyl)-N-methyl-N-(2-methylphenyl)-4-oxidanylidene-1H-quinoline-6-sulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-methyl-N-(2-methylphenyl)-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-methyl-N-(o-tolyl)-4-oxo-1H-quinoline-6-sulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-methyl-N-(2-methylphenyl)-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-methyl-N-(2-methylphenyl)-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(azepane-1-carbonyl)-4-keto-N-methyl-N-(o-tolyl)-1H-quinoline-6-sulfonamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O4S/c1-17-9-5-6-10-22(17)26(2)32(30,31)18-11-12-21-19(15-18)23(28)20(16-25-21)24(29)27-13-7-3-4-8-14-27/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3,(H,25,28)