[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] (2R)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2R)-1-tosylpipecolinic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C16H22N2O5S MolecularWeight: 354.42128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OC(C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)O[C@@H](C)C(=O)N

InChI

InChI=1S/C16H22N2O5S/c1-11-6-8-13(9-7-11)24(21,22)18-10-4-3-5-14(18)16(20)23-12(2)15(17)19/h6-9,12,14H,3-5,10H2,1-2H3,(H2,17,19)/t12-,14+/m0/s1