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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-chloranyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: (2-amino-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 (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 2-chloro-5-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O5S/c1-10-5-11(2)8-19(7-10)25(22,23)12-3-4-14(17)13(6-12)16(21)24-9-15(18)20/h3-4,6,10-11H,5,7-9H2,1-2H3,(H2,18,20)/t10-,11-/m1/s1