[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C16H16ClNO5S3 MolecularWeight: 433.94994

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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=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(S2)Cl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H16ClNO5S3/c17-14-4-3-13(25-14)12(19)10-23-16(20)11-5-7-18(8-6-11)26(21,22)15-2-1-9-24-15/h1-4,9,11H,5-8,10H2