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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxidanylidene-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxo-N-(3-pyridylmethyl)quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-1-methyl-4-oxo-N-(3-pyridinylmethyl)-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-4-keto-1-methyl-N-(3-pyridylmethyl)quinoline-3-carboxamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-26-16-20(23(29)25-15-17-7-6-10-24-14-17)22(28)19-13-18(8-9-21(19)26)32(30,31)27-11-4-2-3-5-12-27/h6-10,13-14,16H,2-5,11-12,15H2,1H3,(H,25,29)