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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)OC1

InChI

InChI=1S/C16H18N2O6S2/c17-25(19,20)13-4-2-12(3-5-13)11-18-26(21,22)14-6-7-15-16(10-14)24-9-1-8-23-15/h2-7,10,18H,1,8-9,11H2,(H2,17,19,20)