N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3-methylsulfonylphenyl)amino]ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3-methylsulfonylphenyl)amino]ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methylsulfonylanilino)acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methylsulfonylanilino)acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methylsulfonylanilino)acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-mesylanilino)acetamide Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NCC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NCC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C17H17BrN2O5S/c1-26(22,23)12-4-2-3-11(7-12)19-10-17(21)20-14-9-16-15(8-13(14)18)24-5-6-25-16/h2-4,7-9,19H,5-6,10H2,1H3,(H,20,21)