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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-ethyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-ethyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[(2-chlorophenyl)methyl]-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-(2-chlorobenzyl)-1-ethyl-4-keto-quinoline-3-carboxamide Formula: C25H28ClN3O4S MolecularWeight: 502.02552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H28ClN3O4S/c1-2-28-17-21(25(31)27-16-18-9-5-6-10-22(18)26)24(30)20-15-19(11-12-23(20)28)34(32,33)29-13-7-3-4-8-14-29/h5-6,9-12,15,17H,2-4,7-8,13-14,16H2,1H3,(H,27,31)