4-(4-chlorophenyl)-4-(cyanomethyl)-3-(4-sulfamoylphenyl)-1,5-dihydropyrazole-5-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)-4-(cyanomethyl)-3-(4-sulfamoylphenyl)-1,5-dihydropyrazole-5-carboxylic acid Openeye Name: 4-(4-chlorophenyl)-4-(cyanomethyl)-3-(4-sulfamoylphenyl)-1,5-dihydropyrazole-5-carboxylic acid CAS Name: 4-(4-chlorophenyl)-4-(cyanomethyl)-3-(4-sulfamoylphenyl)-1,5-dihydropyrazole-5-carboxylic acid IUPAC Name: 4-(4-chlorophenyl)-4-(cyanomethyl)-3-(4-sulfamoylphenyl)-1,5-dihydropyrazole-5-carboxylic acid Traditional Name: 4-(4-chlorophenyl)-4-(cyanomethyl)-5-(4-sulfamoylphenyl)-2-pyrazoline-3-carboxylic acid Formula: C18H15ClN4O4S MolecularWeight: 418.8541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(C2(CC#N)C3=CC=C(C=C3)Cl)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(C2(CC#N)C3=CC=C(C=C3)Cl)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C18H15ClN4O4S/c19-13-5-3-12(4-6-13)18(9-10-20)15(22-23-16(18)17(24)25)11-1-7-14(8-2-11)28(21,26)27/h1-8,16,23H,9H2,(H,24,25)(H2,21,26,27)