6-[(3,4-diethoxyphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid

Systemtic Name: 6-[(3,4-diethoxyphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: 6-[(3,4-diethoxyphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid CAS Name: 6-[(3,4-diethoxyphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: 6-[(3,4-diethoxyphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: 6-[(3,4-diethoxyphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid Formula: C19H21NO8S MolecularWeight: 423.43694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)O)OCCO3)OCC

InChI

InChI=1S/C19H21NO8S/c1-3-25-15-6-5-12(9-16(15)26-4-2)29(23,24)20-14-11-18-17(27-7-8-28-18)10-13(14)19(21)22/h5-6,9-11,20H,3-4,7-8H2,1-2H3,(H,21,22)