[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 4-(dimethylsulfamoyl)benzoate Openeye Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O4S/c1-19-10-11-22(16-20(19)2)26-23(17-30(28-26)24-8-6-5-7-9-24)18-34-27(31)21-12-14-25(15-13-21)35(32,33)29(3)4/h5-17H,18H2,1-4H3