N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-keto-1H-quinoline-4-carboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O4S/c1-16-10-11-17(14-21(16)31(29,30)26-12-6-2-3-7-13-26)24-23(28)19-15-22(27)25-20-9-5-4-8-18(19)20/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,24,28)(H,25,27)