[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(4-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: [(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(4-fluorophenyl)sulfonylamino]propanoate Openeye Name: [(1S)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 3-[(4-fluorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-fluorophenyl)sulfonylamino]propanoic acid [(2S)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-fluorophenyl)sulfonylamino]propionic acid [(1S)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C18H25FN2O5S MolecularWeight: 400.464903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H25FN2O5S/c1-13-8-11-21(12-9-13)18(23)14(2)26-17(22)7-10-20-27(24,25)16-5-3-15(19)4-6-16/h3-6,13-14,20H,7-12H2,1-2H3/t14-/m0/s1