[5-(dimethylamino)-1,3-bis(oxidanylidene)isoindol-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-(dimethylamino)-1,3-bis(oxidanylidene)isoindol-2-yl] 4-methylbenzenesulfonate Openeye Name: [5-(dimethylamino)-1,3-dioxo-isoindolin-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(dimethylamino)-1,3-dioxo-2-isoindolyl] ester IUPAC Name: [5-(dimethylamino)-1,3-dioxoisoindol-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(dimethylamino)-1,3-diketo-isoindolin-2-yl] ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C2=O)C=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C2=O)C=C(C=C3)N(C)C

InChI

InChI=1S/C17H16N2O5S/c1-11-4-7-13(8-5-11)25(22,23)24-19-16(20)14-9-6-12(18(2)3)10-15(14)17(19)21/h4-10H,1-3H3