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

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3,4-diethoxybenzoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid (5-methyl-2-phenyl-4-tosyl-pyrazol-3-yl) ester Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)OCC

InChI

InChI=1S/C28H28N2O6S/c1-5-34-24-17-14-21(18-25(24)35-6-2)28(31)36-27-26(37(32,33)23-15-12-19(3)13-16-23)20(4)29-30(27)22-10-8-7-9-11-22/h7-18H,5-6H2,1-4H3