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

Systemtic Name: [2-(3,4-dichlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C20H19Cl2N3O4S MolecularWeight: 468.35356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O4S/c1-12(2)19-11-20(25(24-19)15-6-9-17(21)18(22)10-15)29-30(27,28)16-7-4-14(5-8-16)23-13(3)26/h4-12H,1-3H3,(H,23,26)