[2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-butanoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonylbutanoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanoate Traditional Name: 4-mesyl-2-phthalimido-butyric acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C26H22N4O6S MolecularWeight: 518.54108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C(CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C26H22N4O6S/c1-16-11-12-23(22(15-16)30-27-19-9-5-6-10-20(19)28-30)36-26(33)21(13-14-37(2,34)35)29-24(31)17-7-3-4-8-18(17)25(29)32/h3-12,15,21H,13-14H2,1-2H3