2-[4-(diphenylmethyl)sulfanylpiperidin-1-yl]propanoic acid

Systemtic Name: 2-[4-(diphenylmethyl)sulfanylpiperidin-1-yl]propanoic acid Openeye Name: 2-(4-benzhydrylsulfanyl-1-piperidyl)propanoic acid CAS Name: 2-[4-[(diphenylmethyl)thio]-1-piperidinyl]propanoic acid IUPAC Name: 2-(4-benzhydrylsulfanylpiperidin-1-yl)propanoic acid Traditional Name: 2-[4-(benzhydrylthio)piperidino]propionic acid Formula: C21H25NO2S MolecularWeight: 355.4937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC(CC1)SC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)N1CCC(CC1)SC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO2S/c1-16(21(23)24)22-14-12-19(13-15-22)25-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,23,24)