[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)OC1

InChI

InChI=1S/C18H18N2O7S/c19-28(23,24)14-4-1-3-13(10-14)20-17(21)11-27-18(22)12-5-6-15-16(9-12)26-8-2-7-25-15/h1,3-6,9-10H,2,7-8,11H2,(H,20,21)(H2,19,23,24)