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

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(1,3-dioxo-2-isoindolyl)cyclohexyl] ester IUPAC Name: [4-(1,3-dioxoisoindol-2-yl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-phthalimidocyclohexyl) ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21NO5S/c1-14-6-12-17(13-7-14)28(25,26)27-16-10-8-15(9-11-16)22-20(23)18-4-2-3-5-19(18)21(22)24/h2-7,12-13,15-16H,8-11H2,1H3