3-[4-[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(4-fluoro-3-morpholinosulfonyl-phenyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(4-fluoro-3-morpholinosulfonyl-phenyl)sulfamoyl]phenyl]propionic acid Formula: C19H21FN2O7S2 MolecularWeight: 472.507643

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)F

InChI

InChI=1S/C19H21FN2O7S2/c20-17-7-4-15(13-18(17)31(27,28)22-9-11-29-12-10-22)21-30(25,26)16-5-1-14(2-6-16)3-8-19(23)24/h1-2,4-7,13,21H,3,8-12H2,(H,23,24)