[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] butane-1-sulfonate

Systemtic Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] butane-1-sulfonate Openeye Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl] ester Formula: C17H22Cl2N2O3S MolecularWeight: 405.33918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC(=NN1C2=CC(=C(C=C2)Cl)Cl)C(C)(C)C

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC(=NN1C2=CC(=C(C=C2)Cl)Cl)C(C)(C)C

InChI

InChI=1S/C17H22Cl2N2O3S/c1-5-6-9-25(22,23)24-16-11-15(17(2,3)4)20-21(16)12-7-8-13(18)14(19)10-12/h7-8,10-11H,5-6,9H2,1-4H3