(2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-(methylthio)-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: (2S)-2-(1-ketoisoindolin-2-yl)-4-(methylthio)-N-piperonyl-butyramide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N2O4S/c1-28-9-8-17(23-12-15-4-2-3-5-16(15)21(23)25)20(24)22-11-14-6-7-18-19(10-14)27-13-26-18/h2-7,10,17H,8-9,11-13H2,1H3,(H,22,24)/t17-/m0/s1