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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

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