sodium 1-[3-[2-[(4-azido-2-oxidanyl-phenyl)carbonylamino]ethyldisulfanyl]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate

Systemtic Name: sodium 1-[3-[2-[(4-azido-2-oxidanyl-phenyl)carbonylamino]ethyldisulfanyl]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate Openeye Name: sodium 1-[3-[2-[(4-azido-2-hydroxy-benzoyl)amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonate CAS Name: sodium 1-[3-[2-[[(4-azido-2-hydroxyphenyl)-oxomethyl]amino]ethyldisulfanyl]-1-oxopropoxy]-2,5-dioxo-3-pyrrolidinesulfonate IUPAC Name: sodium 1-[3-[2-[(4-azido-2-hydroxybenzoyl)amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate Traditional Name: sodium 1-[3-[2-[(4-azido-2-hydroxy-benzoyl)amino]ethyldisulfanyl]propanoyloxy]-2,5-diketo-pyrrolidine-3-sulfonate Formula: C16H16N5NaO9S3 MolecularWeight: 541.51111

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CCSSCCNC(=O)C2=C(C=C(C=C2)N=[N+]=[N-])O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CCSSCCNC(=O)C2=C(C=C(C=C2)N=[N+]=[N-])O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H17N5O9S3.Na/c17-20-19-9-1-2-10(11(22)7-9)15(25)18-4-6-32-31-5-3-14(24)30-21-13(23)8-12(16(21)26)33(27,28)29;/h1-2,7,12,22H,3-6,8H2,(H,18,25)(H,27,28,29);/q;+1/p-1