2-chloranyl-5-(3-methoxy-4-oxidanyl-piperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-(3-methoxy-4-oxidanyl-piperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-chloro-5-[(4-hydroxy-3-methoxy-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-chloro-5-[(4-hydroxy-3-methoxy-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-(4-hydroxy-3-methoxypiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-chloro-5-(4-hydroxy-3-methoxy-piperidino)sulfonyl-benzoic acid Formula: C13H16ClNO6S MolecularWeight: 349.78724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1O)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

COC1CN(CCC1O)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H16ClNO6S/c1-21-12-7-15(5-4-11(12)16)22(19,20)8-2-3-10(14)9(6-8)13(17)18/h2-3,6,11-12,16H,4-5,7H2,1H3,(H,17,18)