N-[2-(azepan-1-yl)ethyl]-6-(diethylsulfamoyl)-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-6-(diethylsulfamoyl)-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide Openeye Name: 1-allyl-N-[2-(azepan-1-yl)ethyl]-6-(diethylsulfamoyl)-4-oxo-quinoline-3-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-6-(diethylsulfamoyl)-4-oxo-1-prop-2-enyl-3-quinolinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-6-(diethylsulfamoyl)-4-oxo-1-prop-2-enylquinoline-3-carboxamide Traditional Name: 1-allyl-N-[2-(azepan-1-yl)ethyl]-6-(diethylsulfamoyl)-4-keto-quinoline-3-carboxamide Formula: C25H36N4O4S MolecularWeight: 488.64274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCCN3CCCCCC3)CC=C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCCN3CCCCCC3)CC=C

InChI

InChI=1S/C25H36N4O4S/c1-4-14-28-19-22(25(31)26-13-17-27-15-9-7-8-10-16-27)24(30)21-18-20(11-12-23(21)28)34(32,33)29(5-2)6-3/h4,11-12,18-19H,1,5-10,13-17H2,2-3H3,(H,26,31)