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

Systemtic Name: phenacyl 3,4-bis(chloranyl)-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: phenacyl 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 3,4-dichloro-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid phenacyl ester Formula: C26H21Cl2N3O6S MolecularWeight: 574.43244

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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=CC=C4)Cl)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=CC=C4)Cl)Cl

InChI

InChI=1S/C26H21Cl2N3O6S/c1-16-24(25(33)31(30(16)2)19-11-7-4-8-12-19)29-38(35,36)22-14-18(13-20(27)23(22)28)26(34)37-15-21(32)17-9-5-3-6-10-17/h3-14,29H,15H2,1-2H3