5-[[2-(ethylamino)-5-morpholin-4-ylsulfonyl-phenyl]sulfamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[[2-(ethylamino)-5-morpholin-4-ylsulfonyl-phenyl]sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[[2-(ethylamino)-5-morpholinosulfonyl-phenyl]sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-[[2-(ethylamino)-5-(4-morpholinylsulfonyl)phenyl]sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-[[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-[[2-(ethylamino)-5-morpholinosulfonyl-phenyl]sulfamoyl]-2-fluoro-benzoic acid Formula: C19H22FN3O7S2 MolecularWeight: 487.522283

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H22FN3O7S2/c1-2-21-17-6-4-14(32(28,29)23-7-9-30-10-8-23)12-18(17)22-31(26,27)13-3-5-16(20)15(11-13)19(24)25/h3-6,11-12,21-22H,2,7-10H2,1H3,(H,24,25)