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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C19H22N2O5S2 MolecularWeight: 422.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O5S2/c1-13-3-6-15(7-4-13)28(23,24)21-16(9-10-27-2)19(22)20-14-5-8-17-18(11-14)26-12-25-17/h3-8,11,16,21H,9-10,12H2,1-2H3,(H,20,22)