2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,5-dimethylphenyl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,5-dimethylphenyl)-4-methylsulfanyl-butanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,5-dimethylphenyl)-4-methylsulfanyl-butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,5-dimethylphenyl)-4-(methylthio)butanamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,5-dimethylphenyl)-4-methylsulfanylbutanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,5-dimethylphenyl)-4-(methylthio)butyramide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C21H26N2O5S2/c1-14-10-15(2)12-16(11-14)22-21(24)18(6-9-29-3)23-30(25,26)17-4-5-19-20(13-17)28-8-7-27-19/h4-5,10-13,18,23H,6-9H2,1-3H3,(H,22,24)