[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl] ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C23H27N3O4S/c1-15-7-12-20(16(2)13-15)26-22(14-21(25-26)23(4,5)6)30-31(28,29)19-10-8-18(9-11-19)24-17(3)27/h7-14H,1-6H3,(H,24,27)