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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-phenyl-butanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-phenyl-butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-phenylbutanamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-phenylbutanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-phenyl-butyramide Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSCCC(C(=O)NC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H22N2O5S2/c1-27-12-9-16(19(22)20-14-5-3-2-4-6-14)21-28(23,24)15-7-8-17-18(13-15)26-11-10-25-17/h2-8,13,16,21H,9-12H2,1H3,(H,20,22)