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

Systemtic Name: 7-[(2-chloranyl-5-methylsulfonyl-phenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(2-chloro-5-methylsulfonyl-phenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[(2-chloro-5-methylsulfonylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(2-chloro-5-methylsulfonylphenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(2-chloro-5-mesyl-phenyl)sulfonylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C17H16ClNO8S2 MolecularWeight: 461.89384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO8S2/c1-28(22,23)10-3-4-12(18)16(7-10)29(24,25)19-13-9-15-14(8-11(13)17(20)21)26-5-2-6-27-15/h3-4,7-9,19H,2,5-6H2,1H3,(H,20,21)