2-[[4-[[4-fluoranyl-3-(trifluoromethyl)phenyl]sulfamoylmethyl]phenyl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[4-[[4-fluoranyl-3-(trifluoromethyl)phenyl]sulfamoylmethyl]phenyl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoylmethyl]benzoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoylmethyl]phenyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoylmethyl]benzoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoylmethyl]benzoyl]amino]-3-hydroxy-propionic acid Formula: C18H16F4N2O6S MolecularWeight: 464.388053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)NC2=CC(=C(C=C2)F)C(F)(F)F)C(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)NC2=CC(=C(C=C2)F)C(F)(F)F)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C18H16F4N2O6S/c19-14-6-5-12(7-13(14)18(20,21)22)24-31(29,30)9-10-1-3-11(4-2-10)16(26)23-15(8-25)17(27)28/h1-7,15,24-25H,8-9H2,(H,23,26)(H,27,28)