4-ethyl-3-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCC(C2)O

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCC(C2)O

InChI

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