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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O5S2/c23-11-1-13-27(14-2-12-24)35(32,33)19-9-5-17(6-10-19)21(29)26-22-25-20(15-34-22)16-3-7-18(8-4-16)28(30)31/h3-10,15H,1-2,13-14H2,(H,25,26,29)