N-(1,3-benzodioxol-5-yl)-1-[2-(diphenylmethyl)sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(diphenylmethyl)sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-(2-benzhydrylsulfanylacetyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(diphenylmethyl)thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-benzhydrylsulfanylacetyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide Traditional Name: 1-[2-(benzhydrylthio)acetyl]-N-(1,3-benzodioxol-5-yl)isonipecotamide Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CSC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CSC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O4S/c31-26(18-35-27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)30-15-13-22(14-16-30)28(32)29-23-11-12-24-25(17-23)34-19-33-24/h1-12,17,22,27H,13-16,18-19H2,(H,29,32)