[(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [(1S)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [(1S)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29NO5S MolecularWeight: 395.51296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)NCC2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)NCC2CCCCC2

InChI

InChI=1S/C20H29NO5S/c1-15-8-10-18(11-9-15)27(24,25)13-12-19(22)26-16(2)20(23)21-14-17-6-4-3-5-7-17/h8-11,16-17H,3-7,12-14H2,1-2H3,(H,21,23)/t16-/m0/s1