[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C18H18BrNO5S2 MolecularWeight: 472.37322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)C2=CC=C(S2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)C2=CC=C(S2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18BrNO5S2/c19-17-10-9-16(26-17)15(21)12-25-18(22)14-8-4-5-11-20(14)27(23,24)13-6-2-1-3-7-13/h1-3,6-7,9-10,14H,4-5,8,11-12H2