7-[[3-(dimethylsulfamoyl)phenyl]carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[[3-(dimethylsulfamoyl)phenyl]carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[[3-(dimethylsulfamoyl)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[[3-(dimethylsulfamoyl)phenyl]-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[[3-(dimethylsulfamoyl)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[[3-(dimethylsulfamoyl)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3

InChI

InChI=1S/C19H20N2O7S/c1-21(2)29(25,26)13-6-3-5-12(9-13)18(22)20-15-11-17-16(10-14(15)19(23)24)27-7-4-8-28-17/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,20,22)(H,23,24)