methyl 3-methylsulfonyl-4-(3-oxidanylpiperidin-1-yl)benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-(3-oxidanylpiperidin-1-yl)benzoate Openeye Name: methyl 4-(3-hydroxy-1-piperidyl)-3-methylsulfonyl-benzoate CAS Name: 4-(3-hydroxy-1-piperidinyl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(3-hydroxypiperidin-1-yl)-3-methylsulfonylbenzoate Traditional Name: 4-(3-hydroxypiperidino)-3-mesyl-benzoic acid methyl ester Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC(C2)O)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC(C2)O)S(=O)(=O)C

InChI

InChI=1S/C14H19NO5S/c1-20-14(17)10-5-6-12(13(8-10)21(2,18)19)15-7-3-4-11(16)9-15/h5-6,8,11,16H,3-4,7,9H2,1-2H3