(4-chlorophenyl) 4-[4-(piperidin-1-ylmethyl)phenyl]sulfanylpiperidine-1-carboxylate

Systemtic Name: (4-chlorophenyl) 4-[4-(piperidin-1-ylmethyl)phenyl]sulfanylpiperidine-1-carboxylate Openeye Name: (4-chlorophenyl) 4-[4-(1-piperidylmethyl)phenyl]sulfanylpiperidine-1-carboxylate CAS Name: 4-[[4-(1-piperidinylmethyl)phenyl]thio]-1-piperidinecarboxylic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-[4-(piperidin-1-ylmethyl)phenyl]sulfanylpiperidine-1-carboxylate Traditional Name: 4-[[4-(piperidinomethyl)phenyl]thio]piperidine-1-carboxylic acid (4-chlorophenyl) ester Formula: C24H29ClN2O2S MolecularWeight: 445.01726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)SC3CCN(CC3)C(=O)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)SC3CCN(CC3)C(=O)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H29ClN2O2S/c25-20-6-8-21(9-7-20)29-24(28)27-16-12-23(13-17-27)30-22-10-4-19(5-11-22)18-26-14-2-1-3-15-26/h4-11,23H,1-3,12-18H2