[4-azanyl-5-cyano-6,7-dimethyl-1,3-bis(oxidanylidene)isoindol-2-yl] benzenesulfonate

Systemtic Name: [4-azanyl-5-cyano-6,7-dimethyl-1,3-bis(oxidanylidene)isoindol-2-yl] benzenesulfonate Openeye Name: (4-amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl) benzenesulfonate CAS Name: benzenesulfonic acid (4-amino-5-cyano-6,7-dimethyl-1,3-dioxo-2-isoindolyl) ester IUPAC Name: (4-amino-5-cyano-6,7-dimethyl-1,3-dioxoisoindol-2-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-amino-5-cyano-1,3-diketo-6,7-dimethyl-isoindolin-2-yl) ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1C)C(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

CC1=C(C(=C2C(=C1C)C(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C17H13N3O5S/c1-9-10(2)13-14(15(19)12(9)8-18)17(22)20(16(13)21)25-26(23,24)11-6-4-3-5-7-11/h3-7H,19H2,1-2H3