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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-methyl-4-oxidanylidene-N-(phenylmethyl)quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-benzyl-1-ethyl-N-methyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-1-ethyl-N-methyl-4-oxo-N-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-benzyl-1-ethyl-N-methyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-benzyl-1-ethyl-4-keto-N-methyl-quinoline-3-carboxamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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)N(C)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4S/c1-3-28-19-23(26(31)27(2)18-20-11-7-6-8-12-20)25(30)22-17-21(13-14-24(22)28)34(32,33)29-15-9-4-5-10-16-29/h6-8,11-14,17,19H,3-5,9-10,15-16,18H2,1-2H3