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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-(4-bromophenyl)-N-methyl-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-(4-bromophenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-(4-bromophenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-(4-bromophenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(4-bromophenyl)-4-keto-N-methyl-1H-quinoline-6-sulfonamide Formula: C23H24BrN3O4S MolecularWeight: 518.42336

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

Isomeric SMILES

CN(C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H24BrN3O4S/c1-26(17-8-6-16(24)7-9-17)32(30,31)18-10-11-21-19(14-18)22(28)20(15-25-21)23(29)27-12-4-2-3-5-13-27/h6-11,14-15H,2-5,12-13H2,1H3,(H,25,28)