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

Systemtic Name: 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[[4-(hydroxymethyl)-1-piperidyl]sulfonyl]-4-methyl-benzoic acid CAS Name: 3-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 4-methyl-3-(4-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)N2CCC(CC2)CO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCC(CC2)CO

InChI

InChI=1S/C14H19NO5S/c1-10-2-3-12(14(17)18)8-13(10)21(19,20)15-6-4-11(9-16)5-7-15/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)