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

Systemtic Name: 4-[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 4-[(4-fluoro-3-morpholinosulfonyl-phenyl)sulfamoyl]benzoic acid CAS Name: 4-[[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 4-[(4-fluoro-3-morpholinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C17H17FN2O7S2 MolecularWeight: 444.454483

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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)C(=O)O)F

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O7S2/c18-15-6-3-13(11-16(15)29(25,26)20-7-9-27-10-8-20)19-28(23,24)14-4-1-12(2-5-14)17(21)22/h1-6,11,19H,7-10H2,(H,21,22)