2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfanyl-butanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfanyl-butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(methylthio)butanamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfanylbutanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(methylthio)butyramide Formula: C21H25FN2O5S2 MolecularWeight: 468.562003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O5S2/c1-14(15-3-5-16(22)6-4-15)23-21(25)18(9-12-30-2)24-31(26,27)17-7-8-19-20(13-17)29-11-10-28-19/h3-8,13-14,18,24H,9-12H2,1-2H3,(H,23,25)