methyl 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[3-(3-chlorobenzyl)-3-methylol-piperidino]sulfonylbenzoic acid methyl ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCC(C2)(CC3=CC(=CC=C3)Cl)CO

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCC(C2)(CC3=CC(=CC=C3)Cl)CO

InChI

InChI=1S/C21H24ClNO5S/c1-28-20(25)18-8-2-3-9-19(18)29(26,27)23-11-5-10-21(14-23,15-24)13-16-6-4-7-17(22)12-16/h2-4,6-9,12,24H,5,10-11,13-15H2,1H3