[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H21FN2O5S2 MolecularWeight: 440.508843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CS3)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NCC3=CC=CS3)F

InChI

InChI=1S/C19H21FN2O5S2/c20-16-7-6-14(11-17(16)29(25,26)22-8-2-1-3-9-22)19(24)27-13-18(23)21-12-15-5-4-10-28-15/h4-7,10-11H,1-3,8-9,12-13H2,(H,21,23)