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

Systemtic Name: [2-(3,4-dichlorophenyl)-5-propan-2-yl-pyrazol-3-yl] propane-2-sulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C15H18Cl2N2O3S MolecularWeight: 377.28602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18Cl2N2O3S/c1-9(2)14-8-15(22-23(20,21)10(3)4)19(18-14)11-5-6-12(16)13(17)7-11/h5-10H,1-4H3