2-chloranyl-3-(4-methoxypiperidin-1-yl)-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-3-(4-methoxypiperidin-1-yl)-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-(4-methoxy-1-piperidyl)-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-(4-methoxy-1-piperidinyl)-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-(4-methoxypiperidin-1-yl)-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-4-mesyl-3-(4-methoxypiperidino)benzoic acid Formula: C14H18ClNO5S MolecularWeight: 347.81442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)C2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

COC1CCN(CC1)C2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C14H18ClNO5S/c1-21-9-5-7-16(8-6-9)13-11(22(2,19)20)4-3-10(12(13)15)14(17)18/h3-4,9H,5-8H2,1-2H3,(H,17,18)