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

Systemtic Name: 3-[4-[[4-chloranyl-3-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-chloro-3-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-chloro-3-[dimethylamino(oxo)methyl]phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-chloro-3-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[4-chloro-3-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propionic acid Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)Cl

Isomeric SMILES

CN(C)C(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)Cl

InChI

InChI=1S/C18H19ClN2O5S/c1-21(2)18(24)15-11-13(6-9-16(15)19)20-27(25,26)14-7-3-12(4-8-14)5-10-17(22)23/h3-4,6-9,11,20H,5,10H2,1-2H3,(H,22,23)