6-(azepan-1-ylsulfonyl)-1-methyl-4-oxidanylidene-N-(phenylmethyl)quinoline-3-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxidanylidene-N-(phenylmethyl)quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-benzyl-1-methyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-1-methyl-4-oxo-N-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-benzyl-1-methyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-benzyl-4-keto-1-methyl-quinoline-3-carboxamide Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4S/c1-26-17-21(24(29)25-16-18-9-5-4-6-10-18)23(28)20-15-19(11-12-22(20)26)32(30,31)27-13-7-2-3-8-14-27/h4-6,9-12,15,17H,2-3,7-8,13-14,16H2,1H3,(H,25,29)