7-[(4-sulfamoylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[(4-sulfamoylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(4-sulfamoylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[(4-sulfamoylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(4-sulfamoylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(4-sulfamoylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C16H16N2O8S2 MolecularWeight: 428.43684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)OC1

InChI

InChI=1S/C16H16N2O8S2/c17-27(21,22)10-2-4-11(5-3-10)28(23,24)18-13-9-15-14(8-12(13)16(19)20)25-6-1-7-26-15/h2-5,8-9,18H,1,6-7H2,(H,19,20)(H2,17,21,22)