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

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 4-ethoxybenzoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5S/c1-6-29-18-14-12-17(13-15-18)22(26)30-21-20(16(2)24-25(21)23(3,4)5)31(27,28)19-10-8-7-9-11-19/h7-15H,6H2,1-5H3