[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: [(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [(1R)-1-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [(1R)-2-keto-1-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C19H26FNO5S MolecularWeight: 399.476843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H26FNO5S/c1-13-5-3-4-6-17(13)21-19(23)14(2)26-18(22)11-12-27(24,25)16-9-7-15(20)8-10-16/h7-10,13-14,17H,3-6,11-12H2,1-2H3,(H,21,23)/t13-,14+,17-/m0/s1