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

Systemtic Name: 6-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 6-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate IUPAC Name: 6-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate Formula: C17H15BrNO7S- MolecularWeight: 457.2725

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3

InChI

InChI=1S/C17H16BrNO7S/c1-2-24-13-4-3-10(18)7-16(13)27(22,23)19-12-9-15-14(25-5-6-26-15)8-11(12)17(20)21/h3-4,7-9,19H,2,5-6H2,1H3,(H,20,21)/p-1