4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(3-nitrophenyl)thiazol-2-yl]benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(3-nitrophenyl)-2-thiazolyl]benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(3-nitrophenyl)thiazol-2-yl]benzamide Formula: C22H18N6O5S2 MolecularWeight: 510.54552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H18N6O5S2/c23-10-2-12-27(13-3-11-24)35(32,33)19-8-6-16(7-9-19)21(29)26-22-25-20(15-34-22)17-4-1-5-18(14-17)28(30)31/h1,4-9,14-15H,2-3,12-13H2,(H,25,26,29)