3-[[4-[[(2S)-1-azido-4-oxidanyl-4-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methylsulfamoyl]benzoic acid

Systemtic Name: 3-[[4-[[(2S)-1-azido-4-oxidanyl-4-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methylsulfamoyl]benzoic acid Openeye Name: 3-[[4-[[(1S)-1-(azidomethyl)-3-hydroxy-3-oxo-propyl]carbamoyl]phenyl]methylsulfamoyl]benzoic acid CAS Name: 3-[[4-[[[(2S)-1-azido-4-hydroxy-4-oxobutan-2-yl]amino]-oxomethyl]phenyl]methylsulfamoyl]benzoic acid IUPAC Name: 3-[[4-[[(2S)-1-azido-4-hydroxy-4-oxobutan-2-yl]carbamoyl]phenyl]methylsulfamoyl]benzoic acid Traditional Name: 3-[[4-[[(1S)-1-(azidomethyl)-3-hydroxy-3-keto-propyl]carbamoyl]benzyl]sulfamoyl]benzoic acid Formula: C19H19N5O7S MolecularWeight: 461.44846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC(CC(=O)O)CN=[N+]=[N-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-])C(=O)O

InChI

InChI=1S/C19H19N5O7S/c20-24-21-11-15(9-17(25)26)23-18(27)13-6-4-12(5-7-13)10-22-32(30,31)16-3-1-2-14(8-16)19(28)29/h1-8,15,22H,9-11H2,(H,23,27)(H,25,26)(H,28,29)/t15-/m0/s1