(2S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C13H13ClN4O5S MolecularWeight: 372.78412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC(CC2=CN=CN2)C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N[C@@H](CC2=CN=CN2)C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H13ClN4O5S/c14-9-2-1-7(3-11(9)24(15,22)23)12(19)18-10(13(20)21)4-8-5-16-6-17-8/h1-3,5-6,10H,4H2,(H,16,17)(H,18,19)(H,20,21)(H2,15,22,23)/t10-/m0/s1