[5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-methylbenzoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-methylbenzoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid (5-methyl-2-phenyl-4-tosyl-pyrazol-3-yl) ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C25H22N2O4S/c1-17-13-15-21(16-14-17)32(29,30)23-19(3)26-27(20-10-5-4-6-11-20)24(23)31-25(28)22-12-8-7-9-18(22)2/h4-16H,1-3H3