[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-methyl-hexan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-methyl-hexan-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)-1-isopropyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(1,3-dioxo-2-isoindolyl)-2-methylhexan-3-yl] ester IUPAC Name: [6-(1,3-dioxoisoindol-2-yl)-2-methylhexan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-isopropyl-4-phthalimido-butyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCN2C(=O)C3=CC=CC=C3C2=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCN2C(=O)C3=CC=CC=C3C2=O)C(C)C

InChI

InChI=1S/C22H25NO5S/c1-15(2)20(28-29(26,27)17-12-10-16(3)11-13-17)9-6-14-23-21(24)18-7-4-5-8-19(18)22(23)25/h4-5,7-8,10-13,15,20H,6,9,14H2,1-3H3