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

Systemtic Name: 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[[2-(hydroxymethyl)-1-piperidyl]sulfonyl]-2-methyl-benzoic acid CAS Name: 5-[[2-(hydroxymethyl)-1-piperidinyl]sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-2-methylbenzoic acid Traditional Name: 2-methyl-5-(2-methylolpiperidino)sulfonyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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