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

Systemtic Name: 3-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]-4-methyl-benzoic acid CAS Name: 3-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 4-methyl-3-(3-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)N2CCCC(C2)CO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCC(C2)CO

InChI

InChI=1S/C14H19NO5S/c1-10-4-5-12(14(17)18)7-13(10)21(19,20)15-6-2-3-11(8-15)9-16/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,17,18)