(1,3-diphenylpyrazol-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S/c1-18-13-14-22(32(2,29)30)15-23(18)25(28)31-17-20-16-27(21-11-7-4-8-12-21)26-24(20)19-9-5-3-6-10-19/h3-16H,17H2,1-2H3