[4-(2,4-dichlorophenyl)carbonyl-2-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2,4-dichlorophenyl)carbonyl-2-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-(2,4-dichlorobenzoyl)-2-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2,4-dichlorophenyl)-oxomethyl]-2-methyl-3-pyrazolyl] ester IUPAC Name: [4-(2,4-dichlorobenzoyl)-2-methylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2,4-dichlorobenzoyl)-2-methyl-pyrazol-3-yl] ester Formula: C18H14Cl2N2O4S MolecularWeight: 425.28576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=NN2C)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=NN2C)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O4S/c1-11-3-6-13(7-4-11)27(24,25)26-18-15(10-21-22(18)2)17(23)14-8-5-12(19)9-16(14)20/h3-10H,1-2H3