[2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,5-dichlorophenyl)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(2,5-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dichlorophenyl)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(2,5-dichlorophenyl)-2-keto-ethyl] ester Formula: C18H17Cl2NO5S2 MolecularWeight: 462.36728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2NO5S2/c19-13-3-4-15(20)14(10-13)16(22)11-26-18(23)12-5-7-21(8-6-12)28(24,25)17-2-1-9-27-17/h1-4,9-10,12H,5-8,11H2