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

Systemtic Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(methylsulfamoylmethyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CNS(=O)(=O)CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H22N2O6S2/c1-19-27(21,22)13-15-5-3-14(4-6-15)12-20-28(23,24)16-7-8-17-18(11-16)26-10-2-9-25-17/h3-8,11,19-20H,2,9-10,12-13H2,1H3