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

Systemtic Name: (2S)-2-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]-3-oxidanyl-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-3-hydroxy-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]-3-hydroxy-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-3-hydroxy-3-phenylpropanoic acid Traditional Name: (2S)-2-[(4-chloro-3-sulfamoyl-benzoyl)amino]-3-hydroxy-3-phenyl-propionic acid Formula: C16H15ClN2O6S MolecularWeight: 398.8181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)O

Isomeric SMILES

C1=CC=C(C=C1)C([C@@H](C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)O

InChI

InChI=1S/C16H15ClN2O6S/c17-11-7-6-10(8-12(11)26(18,24)25)15(21)19-13(16(22)23)14(20)9-4-2-1-3-5-9/h1-8,13-14,20H,(H,19,21)(H,22,23)(H2,18,24,25)/t13-,14?/m0/s1