methyl 6-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-3-(phenylcarbonyl)-2H-pyridine-5-carboxylate

Systemtic Name: methyl 6-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-3-(phenylcarbonyl)-2H-pyridine-5-carboxylate Openeye Name: methyl 3-benzoyl-6-(4-bromophenyl)-1-(p-tolylsulfonyl)-2H-pyridine-5-carboxylate CAS Name: 3-benzoyl-6-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-benzoyl-6-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine-5-carboxylate Traditional Name: 3-benzoyl-6-(4-bromophenyl)-1-tosyl-2H-pyridine-5-carboxylic acid methyl ester Formula: C27H22BrNO5S MolecularWeight: 552.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC(=C2C3=CC=C(C=C3)Br)C(=O)OC)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC(=C2C3=CC=C(C=C3)Br)C(=O)OC)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H22BrNO5S/c1-18-8-14-23(15-9-18)35(32,33)29-17-21(26(30)20-6-4-3-5-7-20)16-24(27(31)34-2)25(29)19-10-12-22(28)13-11-19/h3-16H,17H2,1-2H3