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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCC1=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/c1-3-4-15-11-20(25(24-15)16-7-10-18(21)19(22)12-16)29-30(27,28)17-8-5-14(6-9-17)23-13(2)26/h5-12H,3-4H2,1-2H3,(H,23,26)