(4-cyanophenyl)methyl 3-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate

Systemtic Name: (4-cyanophenyl)methyl 3-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: (4-cyanophenyl)methyl 3-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 3-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 3-chloro-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid (4-cyanobenzyl) ester Formula: C26H21ClN4O5S MolecularWeight: 536.98674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC(=C3)C(=O)OCC4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC(=C3)C(=O)OCC4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C26H21ClN4O5S/c1-17-24(25(32)31(30(17)2)22-6-4-3-5-7-22)29-37(34,35)23-13-20(12-21(27)14-23)26(33)36-16-19-10-8-18(15-28)9-11-19/h3-14,29H,16H2,1-2H3