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

Systemtic Name: 3-[4-[(4-chloranyl-3-sulfamoyl-phenyl)carbonylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(4-chloro-3-sulfamoyl-benzoyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-chloro-3-sulfamoylbenzoyl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[(4-chloro-3-sulfamoyl-benzoyl)amino]phenyl]propionic acid Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H15ClN2O5S/c17-13-7-4-11(9-14(13)25(18,23)24)16(22)19-12-5-1-10(2-6-12)3-8-15(20)21/h1-2,4-7,9H,3,8H2,(H,19,22)(H,20,21)(H2,18,23,24)