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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CC(=CC=C1)F)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSCCC(C(=O)NCCC1=CC(=CC=C1)F)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25FN2O5S2/c1-30-12-8-18(21(25)23-9-7-15-3-2-4-16(22)13-15)24-31(26,27)17-5-6-19-20(14-17)29-11-10-28-19/h2-6,13-14,18,24H,7-12H2,1H3,(H,23,25)