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

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C16H20BrNO6S MolecularWeight: 434.3021

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO6S/c1-23-15-4-3-12(9-13(15)17)14(19)10-24-16(20)11-5-7-18(8-6-11)25(2,21)22/h3-4,9,11H,5-8,10H2,1-2H3