[2-(2,4-dimethylphenyl)-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3,4,5-trimethoxybenzoate Openeye Name: [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-besyl-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] ester Formula: C28H28N2O7S MolecularWeight: 536.59612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C)S(=O)(=O)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C)S(=O)(=O)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C

InChI

InChI=1S/C28H28N2O7S/c1-17-12-13-22(18(2)14-17)30-27(26(19(3)29-30)38(32,33)21-10-8-7-9-11-21)37-28(31)20-15-23(34-4)25(36-6)24(16-20)35-5/h7-16H,1-6H3