[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C13H16BrNO5S2 MolecularWeight: 410.30384

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C13H16BrNO5S2/c1-22(18,19)15-6-4-9(5-7-15)13(17)20-8-10(16)11-2-3-12(14)21-11/h2-3,9H,4-8H2,1H3