6-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 6-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 6-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate IUPAC Name: 6-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate Formula: C16H13BrNO7S- MolecularWeight: 443.24592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3

InChI

InChI=1S/C16H14BrNO7S/c1-23-12-3-2-9(17)6-15(12)26(21,22)18-11-8-14-13(24-4-5-25-14)7-10(11)16(19)20/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/p-1