4-(2-cyanoethylsulfamoyl)-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide

Systemtic Name: 4-(2-cyanoethylsulfamoyl)-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide Openeye Name: 4-(2-cyanoethylsulfamoyl)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide CAS Name: 4-(2-cyanoethylsulfamoyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide IUPAC Name: 4-(2-cyanoethylsulfamoyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide Traditional Name: 4-(2-cyanoethylsulfamoyl)-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]benzamide Formula: C16H22N4O4S MolecularWeight: 366.43528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N

InChI

InChI=1S/C16H22N4O4S/c1-3-10-18-15(21)12(2)20-16(22)13-5-7-14(8-6-13)25(23,24)19-11-4-9-17/h5-8,12,19H,3-4,10-11H2,1-2H3,(H,18,21)(H,20,22)/t12-/m0/s1