[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C21H22ClNO7S2 MolecularWeight: 499.98488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H22ClNO7S2/c1-2-29-20(25)14-3-5-16(6-4-14)32(27,28)23-11-9-15(10-12-23)21(26)30-13-17(24)18-7-8-19(22)31-18/h3-8,15H,2,9-13H2,1H3