N-(3-acetamido-4-fluoranyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanamide CAS Name: N-(3-acetamido-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)butanamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanylbutanamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)butyramide Formula: C21H24FN3O6S2 MolecularWeight: 497.560163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)F

InChI

InChI=1S/C21H24FN3O6S2/c1-13(26)23-18-11-14(3-5-16(18)22)24-21(27)17(7-10-32-2)25-33(28,29)15-4-6-19-20(12-15)31-9-8-30-19/h3-6,11-12,17,25H,7-10H2,1-2H3,(H,23,26)(H,24,27)