methyl 4-[(4-oxidanylpiperidin-4-yl)methylsulfonyl]benzoate

Systemtic Name: methyl 4-[(4-oxidanylpiperidin-4-yl)methylsulfonyl]benzoate Openeye Name: methyl 4-[(4-hydroxy-4-piperidyl)methylsulfonyl]benzoate CAS Name: 4-[(4-hydroxy-4-piperidinyl)methylsulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-hydroxypiperidin-4-yl)methylsulfonyl]benzoate Traditional Name: 4-[(4-hydroxy-4-piperidyl)methylsulfonyl]benzoic acid methyl ester Formula: C14H19NO5S MolecularWeight: 313.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)CC2(CCNCC2)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)CC2(CCNCC2)O

InChI

InChI=1S/C14H19NO5S/c1-20-13(16)11-2-4-12(5-3-11)21(18,19)10-14(17)6-8-15-9-7-14/h2-5,15,17H,6-10H2,1H3