(2S)-3-methyl-2-[5-(4-sulfamoylphenyl)-1,2,3-triazol-1-yl]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[5-(4-sulfamoylphenyl)-1,2,3-triazol-1-yl]butanoic acid Openeye Name: (2S)-3-methyl-2-[5-(4-sulfamoylphenyl)triazol-1-yl]butanoic acid CAS Name: (2S)-3-methyl-2-[5-(4-sulfamoylphenyl)-1-triazolyl]butanoic acid IUPAC Name: (2S)-3-methyl-2-[5-(4-sulfamoylphenyl)triazol-1-yl]butanoic acid Traditional Name: (2S)-3-methyl-2-[5-(4-sulfamoylphenyl)triazol-1-yl]butyric acid Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1C(=CN=N1)C2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N1C(=CN=N1)C2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C13H16N4O4S/c1-8(2)12(13(18)19)17-11(7-15-16-17)9-3-5-10(6-4-9)22(14,20)21/h3-8,12H,1-2H3,(H,18,19)(H2,14,20,21)/t12-/m0/s1