[3-(2-chlorophenyl)carbonyl-6-methyl-pyridin-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-(2-chlorophenyl)carbonyl-6-methyl-pyridin-2-yl] 4-methylbenzenesulfonate Openeye Name: [3-(2-chlorobenzoyl)-6-methyl-2-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(2-chlorophenyl)-oxomethyl]-6-methyl-2-pyridinyl] ester IUPAC Name: [3-(2-chlorobenzoyl)-6-methylpyridin-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-chlorobenzoyl)-6-methyl-2-pyridyl] ester Formula: C20H16ClNO4S MolecularWeight: 401.86334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=N2)C)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=N2)C)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H16ClNO4S/c1-13-7-10-15(11-8-13)27(24,25)26-20-17(12-9-14(2)22-20)19(23)16-5-3-4-6-18(16)21/h3-12H,1-2H3