2-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid Openeye Name: 2-(4-bromophenyl)-1-(p-tolylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylic acid CAS Name: 2-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid IUPAC Name: 2-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid Traditional Name: 2-(4-bromophenyl)-1-tosyl-3,6-dihydro-2H-pyridine-5-carboxylic acid Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CCC2C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CCC2C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H18BrNO4S/c1-13-2-9-17(10-3-13)26(24,25)21-12-15(19(22)23)6-11-18(21)14-4-7-16(20)8-5-14/h2-10,18H,11-12H2,1H3,(H,22,23)