(2-methoxy-2-oxidanylidene-ethyl) 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 4-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3S,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3S,5R)-3,5-dimethylpiperidino]sulfonylbenzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO6S/c1-12-8-13(2)10-18(9-12)25(21,22)15-6-4-14(5-7-15)17(20)24-11-16(19)23-3/h4-7,12-13H,8-11H2,1-3H3/t12-,13+