(1,3-diphenylpyrazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c1-32(29,30)18-19-12-14-21(15-13-19)25(28)31-17-22-16-27(23-10-6-3-7-11-23)26-24(22)20-8-4-2-5-9-20/h2-16H,17-18H2,1H3