(2S)-2-azanyl-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylsulfonyl-butan-1-one

Systemtic Name: (2S)-2-azanyl-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylsulfonyl-butan-1-one Openeye Name: (2S)-2-amino-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-4-methylsulfonyl-butan-1-one CAS Name: (2S)-2-amino-1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-4-methylsulfonyl-1-butanone IUPAC Name: (2S)-2-amino-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylsulfonylbutan-1-one Traditional Name: (2S)-2-amino-1-[(3S,5S)-3,5-dimethylpiperidino]-4-mesyl-butan-1-one Formula: C12H24N2O3S MolecularWeight: 276.39556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(CCS(=O)(=O)C)N)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)[C@H](CCS(=O)(=O)C)N)C

InChI

InChI=1S/C12H24N2O3S/c1-9-6-10(2)8-14(7-9)12(15)11(13)4-5-18(3,16)17/h9-11H,4-8,13H2,1-3H3/t9-,10-,11-/m0/s1