3-[4-(diphenylmethyl)sulfanylpiperidin-1-yl]propanoic acid

Systemtic Name: 3-[4-(diphenylmethyl)sulfanylpiperidin-1-yl]propanoic acid Openeye Name: 3-(4-benzhydrylsulfanyl-1-piperidyl)propanoic acid CAS Name: 3-[4-[(diphenylmethyl)thio]-1-piperidinyl]propanoic acid IUPAC Name: 3-(4-benzhydrylsulfanylpiperidin-1-yl)propanoic acid Traditional Name: 3-[4-(benzhydrylthio)piperidino]propionic acid Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC(C2=CC=CC=C2)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

C1CN(CCC1SC(C2=CC=CC=C2)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C21H25NO2S/c23-20(24)13-16-22-14-11-19(12-15-22)25-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,21H,11-16H2,(H,23,24)