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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H25FN2O5S MolecularWeight: 400.464903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H25FN2O5S/c1-13(2)11-20-17(22)12-26-18(23)14-6-7-15(19)16(10-14)27(24,25)21-8-4-3-5-9-21/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,20,22)