[2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3,4-dimethoxybenzoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3,4-dimethoxybenzoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)OC)OC)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)OC)OC)C(C)(C)C

InChI

InChI=1S/C23H26N2O6S/c1-15-20(32(27,28)17-10-8-7-9-11-17)21(25(24-15)23(2,3)4)31-22(26)16-12-13-18(29-5)19(14-16)30-6/h7-14H,1-6H3