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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-butanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2-methoxyphenyl)methyl]-4-(methylthio)butanamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2-methoxyphenyl)methyl]-4-methylsulfanylbutanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-o-anisyl-butyramide Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H26N2O6S2/c1-27-18-6-4-3-5-15(18)14-22-21(24)17(9-12-30-2)23-31(25,26)16-7-8-19-20(13-16)29-11-10-28-19/h3-8,13,17,23H,9-12,14H2,1-2H3,(H,22,24)