[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C20H22ClNO5S2 MolecularWeight: 455.97538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C20H22ClNO5S2/c1-13-8-14(2)11-22(10-13)29(25,26)16-5-3-4-15(9-16)20(24)27-12-17(23)18-6-7-19(21)28-18/h3-7,9,13-14H,8,10-12H2,1-2H3