N-(1,3-benzodioxol-5-yl)-1-[4-(methylsulfanylmethyl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[4-(methylsulfanylmethyl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[4-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[4-[(methylthio)methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[4-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[4-[(methylthio)methyl]benzoyl]isonipecotamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

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