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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(phenylmethylsulfanyl)propanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-benzylsulfanylpropanoyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[1-oxo-2-(phenylmethylthio)propyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-benzylsulfanylpropanoyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(benzylthio)propanoyl]isonipecotamide Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3)SCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3)SCC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O4S/c1-16(30-14-17-5-3-2-4-6-17)23(27)25-11-9-18(10-12-25)22(26)24-19-7-8-20-21(13-19)29-15-28-20/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,24,26)