(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C18H18ClNO5S2 MolecularWeight: 427.92222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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