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

Systemtic Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] ester Formula: C21H21Cl2N3O4S MolecularWeight: 482.38014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC(=C(C=C3)Cl)Cl)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC(=C(C=C3)Cl)Cl)C(C)(C)C

InChI

InChI=1S/C21H21Cl2N3O4S/c1-13(27)24-14-5-8-16(9-6-14)31(28,29)30-20-12-19(21(2,3)4)25-26(20)15-7-10-17(22)18(23)11-15/h5-12H,1-4H3,(H,24,27)