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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-butanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,4-dimethoxyphenyl)-4-methylsulfanyl-butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,4-dimethoxyphenyl)-4-(methylthio)butanamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,4-dimethoxyphenyl)-4-methylsulfanylbutanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3,4-dimethoxyphenyl)-4-(methylthio)butyramide Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)OC

InChI

InChI=1S/C21H26N2O7S2/c1-27-17-6-4-14(12-19(17)28-2)22-21(24)16(8-11-31-3)23-32(25,26)15-5-7-18-20(13-15)30-10-9-29-18/h4-7,12-13,16,23H,8-11H2,1-3H3,(H,22,24)