methyl 2-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(hydroxymethyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-(hydroxymethyl)-4-[[(2R)-2-oxanyl]methyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-methylol-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C20H29NO6S MolecularWeight: 411.51236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)(CC3CCCCO3)CO

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)(C[C@H]3CCCCO3)CO

InChI

InChI=1S/C20H29NO6S/c1-26-19(23)17-7-2-3-8-18(17)28(24,25)21-11-9-20(15-22,10-12-21)14-16-6-4-5-13-27-16/h2-3,7-8,16,22H,4-6,9-15H2,1H3/t16-/m1/s1