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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C26H21BrClN3O6S MolecularWeight: 618.88344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C26H21BrClN3O6S/c1-16-24(25(33)31(30(16)2)20-6-4-3-5-7-20)29-38(35,36)23-14-18(10-13-21(23)28)26(34)37-15-22(32)17-8-11-19(27)12-9-17/h3-14,29H,15H2,1-2H3