[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-bromo-3-(4-methylpiperidino)sulfonyl-benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C22H24BrNO5S MolecularWeight: 494.39866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C)Br

InChI

InChI=1S/C22H24BrNO5S/c1-15-3-5-17(6-4-15)20(25)14-29-22(26)18-7-8-19(23)21(13-18)30(27,28)24-11-9-16(2)10-12-24/h3-8,13,16H,9-12,14H2,1-2H3