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

Systemtic Name: [4-azanyl-5-cyano-1,3-bis(oxidanylidene)-6,7-diphenyl-isoindol-2-yl] 4-methylbenzenesulfonate Openeye Name: (4-amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-amino-5-cyano-1,3-dioxo-6,7-diphenyl-2-isoindolyl) ester IUPAC Name: (4-amino-5-cyano-1,3-dioxo-6,7-diphenylisoindol-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-amino-5-cyano-1,3-diketo-6,7-diphenyl-isoindolin-2-yl) ester Formula: C28H19N3O5S MolecularWeight: 509.53256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C(=C(C(=C3C2=O)N)C#N)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C(=C(C(=C3C2=O)N)C#N)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H19N3O5S/c1-17-12-14-20(15-13-17)37(34,35)36-31-27(32)24-23(19-10-6-3-7-11-19)22(18-8-4-2-5-9-18)21(16-29)26(30)25(24)28(31)33/h2-15H,30H2,1H3