3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]propane-1-sulfonic acid CAS Name: 3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(4-chlorophenyl)-4-hydroxy-piperidino]propane-1-sulfonic acid Formula: C14H20ClNO4S MolecularWeight: 333.8309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCS(=O)(=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCS(=O)(=O)O

InChI

InChI=1S/C14H20ClNO4S/c15-13-4-2-12(3-5-13)14(17)6-9-16(10-7-14)8-1-11-21(18,19)20/h2-5,17H,1,6-11H2,(H,18,19,20)