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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-(2-chlorobenzyl)-4-keto-1-methyl-quinoline-3-carboxamide Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C24H26ClN3O4S/c1-27-16-20(24(30)26-15-17-8-4-5-9-21(17)25)23(29)19-14-18(10-11-22(19)27)33(31,32)28-12-6-2-3-7-13-28/h4-5,8-11,14,16H,2-3,6-7,12-13,15H2,1H3,(H,26,30)