1,3-benzodioxol-5-yl (2R)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2R)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: 1,3-benzodioxol-5-yl (2R)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: (2R)-2-(benzenesulfonamido)-4-(methylthio)butanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2R)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: (2R)-2-(benzenesulfonamido)-4-(methylthio)butyric acid 1,3-benzodioxol-5-yl ester Formula: C18H19NO6S2 MolecularWeight: 409.47656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@H](C(=O)OC1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO6S2/c1-26-10-9-15(19-27(21,22)14-5-3-2-4-6-14)18(20)25-13-7-8-16-17(11-13)24-12-23-16/h2-8,11,15,19H,9-10,12H2,1H3/t15-/m1/s1