1-[6-[(4-azido-2-oxidanyl-phenyl)carbonylamino]hexanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: 1-[6-[(4-azido-2-oxidanyl-phenyl)carbonylamino]hexanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[6-[(4-azido-2-hydroxy-benzoyl)amino]hexanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[6-[[(4-azido-2-hydroxyphenyl)-oxomethyl]amino]-1-oxohexoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[6-[(4-azido-2-hydroxybenzoyl)amino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 1-[6-[(4-azido-2-hydroxy-benzoyl)amino]hexanoyloxy]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C17H19N5O9S MolecularWeight: 469.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)C2=C(C=C(C=C2)N=[N+]=[N-])O)S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)C2=C(C=C(C=C2)N=[N+]=[N-])O)S(=O)(=O)O

InChI

InChI=1S/C17H19N5O9S/c18-21-20-10-5-6-11(12(23)8-10)16(26)19-7-3-1-2-4-15(25)31-22-14(24)9-13(17(22)27)32(28,29)30/h5-6,8,13,23H,1-4,7,9H2,(H,19,26)(H,28,29,30)