[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H27FN2O5S MolecularWeight: 414.491483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H27FN2O5S/c1-3-15(4-2)21-18(23)13-27-19(24)14-8-9-16(20)17(12-14)28(25,26)22-10-6-5-7-11-22/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,21,23)