[2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzenesulfonate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonate CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzenesulfonic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-succinimidobenzenesulfonic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C23H18N4O5S/c1-15-6-11-21(20(14-15)27-24-18-4-2-3-5-19(18)25-27)32-33(30,31)17-9-7-16(8-10-17)26-22(28)12-13-23(26)29/h2-11,14H,12-13H2,1H3