5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[[4-(hydroxymethyl)-1-piperidyl]sulfonyl]-2-methyl-benzoic acid CAS Name: 5-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-2-methylbenzoic acid Traditional Name: 2-methyl-5-(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)S(=O)(=O)N2CCC(CC2)CO)C(=O)O

Isomeric SMILES

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

InChI

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