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

Systemtic Name: (2-aminocarbonylphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: (2-carbamoylphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (2-carbamoylphenyl) ester IUPAC Name: (2-carbamoylphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (2-carbamoylphenyl) ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3C(=O)N)OC1

InChI

InChI=1S/C16H15NO6S/c17-16(18)12-4-1-2-5-13(12)23-24(19,20)11-6-7-14-15(10-11)22-9-3-8-21-14/h1-2,4-7,10H,3,8-9H2,(H2,17,18)