[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H19NO6S/c21-19-3-1-10-20(19)14-4-6-15(7-5-14)26-27(22,23)16-8-9-17-18(13-16)25-12-2-11-24-17/h4-9,13H,1-3,10-12H2