6-[2-cyanoethyl(methyl)sulfamoyl]-4-oxidanylidene-N-(phenylmethyl)-1H-quinoline-3-carboxamide

Systemtic Name: 6-[2-cyanoethyl(methyl)sulfamoyl]-4-oxidanylidene-N-(phenylmethyl)-1H-quinoline-3-carboxamide Openeye Name: N-benzyl-6-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: 6-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-N-(phenylmethyl)-1H-quinoline-3-carboxamide IUPAC Name: N-benzyl-6-[2-cyanoethyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-benzyl-6-[2-cyanoethyl(methyl)sulfamoyl]-4-keto-1H-quinoline-3-carboxamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4S/c1-25(11-5-10-22)30(28,29)16-8-9-19-17(12-16)20(26)18(14-23-19)21(27)24-13-15-6-3-2-4-7-15/h2-4,6-9,12,14H,5,11,13H2,1H3,(H,23,26)(H,24,27)