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

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3,4,5-triethoxybenzoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C27H34N2O7S MolecularWeight: 530.63306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H34N2O7S/c1-8-33-21-16-19(17-22(34-9-2)23(21)35-10-3)26(30)36-25-24(18(4)28-29(25)27(5,6)7)37(31,32)20-14-12-11-13-15-20/h11-17H,8-10H2,1-7H3