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

Systemtic Name: [3-(3-bromophenyl)carbonyl-6-methyl-pyridin-2-yl] 4-methylbenzenesulfonate Openeye Name: [3-(3-bromobenzoyl)-6-methyl-2-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(3-bromophenyl)-oxomethyl]-6-methyl-2-pyridinyl] ester IUPAC Name: [3-(3-bromobenzoyl)-6-methylpyridin-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(3-bromobenzoyl)-6-methyl-2-pyridyl] ester Formula: C20H16BrNO4S MolecularWeight: 446.31434

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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=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrNO4S/c1-13-6-9-17(10-7-13)27(24,25)26-20-18(11-8-14(2)22-20)19(23)15-4-3-5-16(21)12-15/h3-12H,1-2H3