3-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[[2-(hydroxymethyl)-1-piperidyl]sulfonyl]-4-methyl-benzoic acid CAS Name: 3-[[2-(hydroxymethyl)-1-piperidinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 4-methyl-3-(2-methylolpiperidino)sulfonyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCC2CO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCC2CO

InChI

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