[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H27FN2O5S MolecularWeight: 462.534283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1F)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27FN2O5S/c1-17(23(28)25-21-8-4-3-7-20(21)24)31-22(27)14-11-18-9-12-19(13-10-18)32(29,30)26-15-5-2-6-16-26/h3-4,7-10,12-13,17H,2,5-6,11,14-16H2,1H3,(H,25,28)