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

Systemtic Name: 7-[[2-(methylsulfonylamino)phenyl]carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[[2-(methanesulfonamido)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[[2-(methanesulfonamido)phenyl]-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[[2-(methanesulfonamido)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[[2-(methanesulfonamido)benzoyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3

InChI

InChI=1S/C18H18N2O7S/c1-28(24,25)20-13-6-3-2-5-11(13)17(21)19-14-10-16-15(9-12(14)18(22)23)26-7-4-8-27-16/h2-3,5-6,9-10,20H,4,7-8H2,1H3,(H,19,21)(H,22,23)