N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide Openeye Name: 2-(benzenesulfonamido)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfanyl-butanamide CAS Name: 2-(benzenesulfonamido)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(methylthio)butanamide IUPAC Name: 2-(benzenesulfonamido)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfanylbutanamide Traditional Name: 2-(benzenesulfonamido)-N-homopiperonyl-4-(methylthio)butyramide Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NCCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O5S2/c1-28-12-10-17(22-29(24,25)16-5-3-2-4-6-16)20(23)21-11-9-15-7-8-18-19(13-15)27-14-26-18/h2-8,13,17,22H,9-12,14H2,1H3,(H,21,23)