(4-benzamidophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: (4-benzamidophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: (4-benzamidophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (4-benzamidophenyl) ester IUPAC Name: (4-benzamidophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (4-benzamidophenyl) ester Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OC1

InChI

InChI=1S/C22H19NO6S/c24-22(16-5-2-1-3-6-16)23-17-7-9-18(10-8-17)29-30(25,26)19-11-12-20-21(15-19)28-14-4-13-27-20/h1-3,5-12,15H,4,13-14H2,(H,23,24)