6-[(4-bromanyl-2-methoxycarbonyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 6-[(4-bromanyl-2-methoxycarbonyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 6-[(4-bromo-2-methoxycarbonyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-[(4-bromo-2-methoxycarbonylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate IUPAC Name: 6-[(4-bromo-2-methoxycarbonylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-[(4-bromo-2-carbomethoxy-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate Formula: C17H13BrNO8S- MolecularWeight: 471.25602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3

InChI

InChI=1S/C17H14BrNO8S/c1-25-17(22)11-6-9(18)2-3-15(11)28(23,24)19-12-8-14-13(26-4-5-27-14)7-10(12)16(20)21/h2-3,6-8,19H,4-5H2,1H3,(H,20,21)/p-1