(2S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]pentanedioic acid CAS Name: (2S)-2-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]pentanedioic acid Traditional Name: (2S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]glutaric acid Formula: C12H13ClN2O7S MolecularWeight: 364.75882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C12H13ClN2O7S/c13-7-2-1-6(5-9(7)23(14,21)22)11(18)15-8(12(19)20)3-4-10(16)17/h1-2,5,8H,3-4H2,(H,15,18)(H,16,17)(H,19,20)(H2,14,21,22)/t8-/m0/s1