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

Systemtic Name: (4-bromophenyl)methyl 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: (4-bromophenyl)methyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid (4-bromobenzyl) ester Formula: C25H22BrN3O5S MolecularWeight: 556.42828

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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)Br

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)Br

InChI

InChI=1S/C25H22BrN3O5S/c1-17-23(24(30)29(28(17)2)21-8-4-3-5-9-21)27-35(32,33)22-10-6-7-19(15-22)25(31)34-16-18-11-13-20(26)14-12-18/h3-15,27H,16H2,1-2H3