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

Systemtic Name: [2-(3,4-dichlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-methoxybenzenesulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C19H18Cl2N2O4S MolecularWeight: 441.32822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18Cl2N2O4S/c1-12(2)18-11-19(23(22-18)13-4-9-16(20)17(21)10-13)27-28(24,25)15-7-5-14(26-3)6-8-15/h4-12H,1-3H3