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

Systemtic Name: phenacyl 2-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate Openeye Name: phenacyl 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate CAS Name: 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylsulfamoyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoate Traditional Name: 2-chloro-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-sulfamoyl]benzoic acid phenacyl ester Formula: C27H24ClN3O6S MolecularWeight: 554.01396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN3O6S/c1-18-25(26(33)31(29(18)2)20-12-8-5-9-13-20)30(3)38(35,36)21-14-15-23(28)22(16-21)27(34)37-17-24(32)19-10-6-4-7-11-19/h4-16H,17H2,1-3H3