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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(p-tolylsulfanyl)acetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(4-methylphenyl)thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(p-tolylthio)acetyl]isonipecotamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O4S/c1-15-2-5-18(6-3-15)29-13-21(25)24-10-8-16(9-11-24)22(26)23-17-4-7-19-20(12-17)28-14-27-19/h2-7,12,16H,8-11,13-14H2,1H3,(H,23,26)