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

Systemtic Name: methyl 2-[4-(hydroxymethyl)-4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-benzyl-4-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-(hydroxymethyl)-4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-(4-benzyl-4-methylol-piperidino)sulfonylbenzoic acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)(CC3=CC=CC=C3)CO

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)(CC3=CC=CC=C3)CO

InChI

InChI=1S/C21H25NO5S/c1-27-20(24)18-9-5-6-10-19(18)28(25,26)22-13-11-21(16-23,12-14-22)15-17-7-3-2-4-8-17/h2-10,23H,11-16H2,1H3