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

Systemtic Name: (2-acetamidophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: (2-acetamidophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (2-acetamidophenyl) ester IUPAC Name: (2-acetamidophenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (2-acetamidophenyl) ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H17NO6S/c1-12(19)18-14-5-2-3-6-15(14)24-25(20,21)13-7-8-16-17(11-13)23-10-4-9-22-16/h2-3,5-8,11H,4,9-10H2,1H3,(H,18,19)