3-[[5-(5-nitrooxypentanoylsulfamoyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[5-(5-nitrooxypentanoylsulfamoyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]benzoic acid Openeye Name: 3-[[5-(5-nitrooxypentanoylsulfamoyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]benzoic acid CAS Name: 3-[[5-[(5-nitrooxy-1-oxopentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]sulfamoyl]benzoic acid IUPAC Name: 3-[[5-(5-nitrooxypentanoylsulfamoyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]benzoic acid Traditional Name: 3-[[5-(5-nitrooxypentanoylsulfamoyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]benzoic acid Formula: C14H15N5O10S3 MolecularWeight: 509.4914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)NC(=O)CCCCO[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)NC(=O)CCCCO[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H15N5O10S3/c20-11(6-1-2-7-29-19(23)24)17-32(27,28)14-16-15-13(30-14)18-31(25,26)10-5-3-4-9(8-10)12(21)22/h3-5,8H,1-2,6-7H2,(H,15,18)(H,17,20)(H,21,22)