3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)sulfamoyl]-4,5-dimethyl-benzoate

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)sulfamoyl]-4,5-dimethyl-benzoate Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfamoyl]-4,5-dimethyl-benzoate CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfamoyl]-4,5-dimethylbenzoate IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfamoyl]-4,5-dimethylbenzoate Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfamoyl]-4,5-dimethyl-benzoate Formula: C17H15BrNO6S- MolecularWeight: 441.2731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2Br)OCCO3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2Br)OCCO3)C

InChI

InChI=1S/C17H16BrNO6S/c1-9-5-11(17(20)21)6-16(10(9)2)26(22,23)19-13-8-15-14(7-12(13)18)24-3-4-25-15/h5-8,19H,3-4H2,1-2H3,(H,20,21)/p-1