[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 2-chloro-5-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 2-chloro-5-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 2-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 2-chloro-5-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-benzoic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC(C)C(=O)N)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O[C@@H](C)C(=O)N)C

InChI

InChI=1S/C17H23ClN2O5S/c1-10-6-11(2)9-20(8-10)26(23,24)13-4-5-15(18)14(7-13)17(22)25-12(3)16(19)21/h4-5,7,10-12H,6,8-9H2,1-3H3,(H2,19,21)/t10-,11-,12+/m1/s1