5-[2-[1-[[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonylphenyl]methyl]pyridin-1-ium-4-yl]-1,3-oxazol-5-yl]-2-methoxy-benzenesulfonate

Systemtic Name: 5-[2-[1-[[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonylphenyl]methyl]pyridin-1-ium-4-yl]-1,3-oxazol-5-yl]-2-methoxy-benzenesulfonate Openeye Name: 5-[2-[1-[[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methyl]pyridin-1-ium-4-yl]oxazol-5-yl]-2-methoxy-benzenesulfonate CAS Name: 5-[2-[1-[[3-[(2,5-dioxo-1-pyrrolidinyl)oxy-oxomethyl]phenyl]methyl]-4-pyridin-1-iumyl]-5-oxazolyl]-2-methoxybenzenesulfonate IUPAC Name: 5-[2-[1-[[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methyl]pyridin-1-ium-4-yl]-1,3-oxazol-5-yl]-2-methoxybenzenesulfonate Traditional Name: 2-methoxy-5-[2-[1-(3-succinimidooxycarbonylbenzyl)pyridin-1-ium-4-yl]oxazol-5-yl]besylate Formula: C27H21N3O9S MolecularWeight: 563.53534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC4=CC=CC(=C4)C(=O)ON5C(=O)CCC5=O)S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC4=CC=CC(=C4)C(=O)ON5C(=O)CCC5=O)S(=O)(=O)[O-]

InChI

InChI=1S/C27H21N3O9S/c1-37-21-6-5-19(14-23(21)40(34,35)36)22-15-28-26(38-22)18-9-11-29(12-10-18)16-17-3-2-4-20(13-17)27(33)39-30-24(31)7-8-25(30)32/h2-6,9-15H,7-8,16H2,1H3