6-oxidanylidene-4-[(4-sulfamoylphenyl)methylcarbamoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid

Systemtic Name: 6-oxidanylidene-4-[(4-sulfamoylphenyl)methylcarbamoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 6-oxo-4-[(4-sulfamoylphenyl)methylcarbamoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 6-oxo-4-[oxo-[(4-sulfamoylphenyl)methylamino]methyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 6-oxo-4-[(4-sulfamoylphenyl)methylcarbamoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 6-keto-4-[(4-sulfamoylbenzyl)carbamoyl]-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C13H16N4O7S2 MolecularWeight: 404.41874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C13H16N4O7S2/c14-25(20,21)9-3-1-8(2-4-9)7-15-13(19)16-6-5-10-11(16)12(18)17(10)26(22,23)24/h1-4,10-11H,5-7H2,(H,15,19)(H2,14,20,21)(H,22,23,24)