[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C18H18ClNO5S2 MolecularWeight: 427.92222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(S2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(S2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClNO5S2/c19-17-7-6-16(26-17)15(21)12-25-18(22)13-8-10-20(11-9-13)27(23,24)14-4-2-1-3-5-14/h1-7,13H,8-12H2