2-[1-[4-(diphenylmethyl)sulfanylpiperidin-1-yl]ethyl]isoindole

Systemtic Name: 2-[1-[4-(diphenylmethyl)sulfanylpiperidin-1-yl]ethyl]isoindole Openeye Name: 2-[1-(4-benzhydrylsulfanyl-1-piperidyl)ethyl]isoindole CAS Name: 2-[1-[4-[(diphenylmethyl)thio]-1-piperidinyl]ethyl]isoindole IUPAC Name: 2-[1-(4-benzhydrylsulfanylpiperidin-1-yl)ethyl]isoindole Traditional Name: 2-[1-[4-(benzhydrylthio)piperidino]ethyl]isoindole Formula: C28H30N2S MolecularWeight: 426.6162

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCC(CC1)SC(C2=CC=CC=C2)C3=CC=CC=C3)N4C=C5C=CC=CC5=C4

Isomeric SMILES

CC(N1CCC(CC1)SC(C2=CC=CC=C2)C3=CC=CC=C3)N4C=C5C=CC=CC5=C4

InChI

InChI=1S/C28H30N2S/c1-22(30-20-25-14-8-9-15-26(25)21-30)29-18-16-27(17-19-29)31-28(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,20-22,27-28H,16-19H2,1H3