(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C18H18ClNO5S2 MolecularWeight: 427.92222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CS3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C18H18ClNO5S2/c19-14-7-6-13(18(22)25-12-15(21)16-5-4-10-26-16)11-17(14)27(23,24)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9,12H2