[[(3Z)-3-(phenylsulfonyloxyimino)isoindol-1-yl]amino] benzenesulfonate

Systemtic Name: [[(3Z)-3-(phenylsulfonyloxyimino)isoindol-1-yl]amino] benzenesulfonate Openeye Name: [[(3Z)-3-(benzenesulfonyloxyimino)isoindol-1-yl]amino] benzenesulfonate CAS Name: benzenesulfonic acid [[(3Z)-3-(benzenesulfonyloxyimino)-1-isoindolyl]amino] ester IUPAC Name: [[(3Z)-3-(benzenesulfonyloxyimino)isoindol-1-yl]amino] benzenesulfonate Traditional Name: benzenesulfonic acid [[(3Z)-3-besyloximinoisoindol-1-yl]amino] ester Formula: C20H15N3O6S2 MolecularWeight: 457.4796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)ONC2=NC(=NOS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C42

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)ONC2=N/C(=N\OS(=O)(=O)C3=CC=CC=C3)/C4=CC=CC=C42

InChI

InChI=1S/C20H15N3O6S2/c24-30(25,15-9-3-1-4-10-15)28-22-19-17-13-7-8-14-18(17)20(21-19)23-29-31(26,27)16-11-5-2-6-12-16/h1-14H,(H,21,22,23)