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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[(4-methylphenyl)methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-2-oxo-N-(p-tolylmethyl)-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-2-keto-N-(4-methylbenzyl)-1H-quinoline-4-carboxamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=O)NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O4S/c1-17-6-8-18(9-7-17)16-25-24(29)21-15-23(28)26-22-11-10-19(14-20(21)22)32(30,31)27-12-4-2-3-5-13-27/h6-11,14-15H,2-5,12-13,16H2,1H3,(H,25,29)(H,26,28)