3-(azepan-1-ylcarbonyl)-N-(2,5-dimethylphenyl)-N-methyl-4-oxidanylidene-1H-quinoline-6-sulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(2,5-dimethylphenyl)-N-methyl-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(2,5-dimethylphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-4-keto-N-methyl-1H-quinoline-6-sulfonamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O4S/c1-17-8-9-18(2)23(14-17)27(3)33(31,32)19-10-11-22-20(15-19)24(29)21(16-26-22)25(30)28-12-6-4-5-7-13-28/h8-11,14-16H,4-7,12-13H2,1-3H3,(H,26,29)