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

Systemtic Name: 2-oxidanylidenepropyl 2-chloranyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: acetonyl 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-oxopropyl ester IUPAC Name: 2-oxopropyl 2-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 2-chloro-5-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-benzoic acid acetonyl ester Formula: C17H22ClNO5S MolecularWeight: 387.87828

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO5S/c1-11-6-12(2)9-19(8-11)25(22,23)14-4-5-16(18)15(7-14)17(21)24-10-13(3)20/h4-5,7,11-12H,6,8-10H2,1-3H3/t11-,12-/m1/s1