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

Systemtic Name: N-(4-methyl-3-sulfamoyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(4-methyl-3-sulfamoyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(4-methyl-3-sulfamoylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(4-methyl-3-sulfamoylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-methyl-3-sulfamoyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N

InChI

InChI=1S/C16H18N2O6S2/c1-11-3-4-12(9-16(11)25(17,19)20)18-26(21,22)13-5-6-14-15(10-13)24-8-2-7-23-14/h3-6,9-10,18H,2,7-8H2,1H3,(H2,17,19,20)