1-[2-(diphenylmethyl)sulfanylethanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(diphenylmethyl)sulfanylethanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(2-benzhydrylsulfanylacetyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[2-[(diphenylmethyl)thio]-1-oxoethyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-benzhydrylsulfanylacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[2-(benzhydrylthio)acetyl]-N-(3-pyridylmethyl)isonipecotamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c31-25(20-33-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23)30-16-13-24(14-17-30)27(32)29-19-21-8-7-15-28-18-21/h1-12,15,18,24,26H,13-14,16-17,19-20H2,(H,29,32)