3-[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[(4-fluoro-3-morpholinosulfonyl-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[(4-fluoro-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[(4-fluoro-3-morpholinosulfonyl-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C19H21FN2O7S2 MolecularWeight: 472.507643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C19H21FN2O7S2/c1-12-9-14(19(23)24)10-17(13(12)2)30(25,26)21-15-3-4-16(20)18(11-15)31(27,28)22-5-7-29-8-6-22/h3-4,9-11,21H,5-8H2,1-2H3,(H,23,24)