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

Systemtic Name: (4-pyridin-2-yloxyphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: [4-(2-pyridyloxy)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid [4-(2-pyridinyloxy)phenyl] ester IUPAC Name: (4-pyridin-2-yloxyphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid [4-(2-pyridyloxy)phenyl] ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)OC4=CC=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)OC4=CC=CC=N4)OC1

InChI

InChI=1S/C20H17NO6S/c22-28(23,17-9-10-18-19(14-17)25-13-3-12-24-18)27-16-7-5-15(6-8-16)26-20-4-1-2-11-21-20/h1-2,4-11,14H,3,12-13H2