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

Systemtic Name: 6-[(4-cyanophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: 6-[(4-cyanophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid CAS Name: 6-[(4-cyanophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: 6-[(4-cyanophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: 6-[(4-cyanophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid Formula: C16H12N2O6S MolecularWeight: 360.34128

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)NS(=O)(=O)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C16H12N2O6S/c17-9-10-1-3-11(4-2-10)25(21,22)18-13-8-15-14(23-5-6-24-15)7-12(13)16(19)20/h1-4,7-8,18H,5-6H2,(H,19,20)