[4-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-2-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-2-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-(2-chloro-4-methylsulfonyl-benzoyl)-2-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-2-methyl-3-pyrazolyl] ester IUPAC Name: [4-(2-chloro-4-methylsulfonylbenzoyl)-2-methylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-chloro-4-mesyl-benzoyl)-2-methyl-pyrazol-3-yl] ester Formula: C19H17ClN2O6S2 MolecularWeight: 468.93108

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)S(=O)(=O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O6S2/c1-12-4-6-13(7-5-12)30(26,27)28-19-16(11-21-22(19)2)18(23)15-9-8-14(10-17(15)20)29(3,24)25/h4-11H,1-3H3