[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)Br

InChI

InChI=1S/C20H21BrN2O6S/c1-28-19-5-4-15(11-17(19)21)18(24)13-29-20(25)14-6-9-23(10-7-14)30(26,27)16-3-2-8-22-12-16/h2-5,8,11-12,14H,6-7,9-10,13H2,1H3