N-(2,3-dimethyl-5-sulfamoyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(2,3-dimethyl-5-sulfamoylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(2,3-dimethyl-5-sulfamoylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1C)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N

InChI

InChI=1S/C17H20N2O6S2/c1-11-8-14(26(18,20)21)9-15(12(11)2)19-27(22,23)13-4-5-16-17(10-13)25-7-3-6-24-16/h4-5,8-10,19H,3,6-7H2,1-2H3,(H2,18,20,21)