[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO6S/c1-28-18-6-8-19(9-7-18)30(26,27)23-12-10-16(11-13-23)21(25)29-14-20(24)15-2-4-17(22)5-3-15/h2-9,16H,10-14H2,1H3