(2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-(benzenesulfonamido)-N-(1,3-benzodioxol-5-ylmethyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)-N-piperonyl-butyramide Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O5S2/c1-27-10-9-16(21-28(23,24)15-5-3-2-4-6-15)19(22)20-12-14-7-8-17-18(11-14)26-13-25-17/h2-8,11,16,21H,9-10,12-13H2,1H3,(H,20,22)/t16-/m0/s1