3-[4-(3-oxidanylpiperidin-1-yl)sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-(3-oxidanylpiperidin-1-yl)sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[(3-hydroxy-1-piperidyl)sulfonyl]phenyl]propanoic acid CAS Name: 3-[4-[(3-hydroxy-1-piperidinyl)sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]propanoic acid Traditional Name: 3-[4-(3-hydroxypiperidino)sulfonylphenyl]propionic acid Formula: C14H19NO5S MolecularWeight: 313.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)O

InChI

InChI=1S/C14H19NO5S/c16-12-2-1-9-15(10-12)21(19,20)13-6-3-11(4-7-13)5-8-14(17)18/h3-4,6-7,12,16H,1-2,5,8-10H2,(H,17,18)