5-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethylsulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethylsulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]-2-fluoro-benzoic acid Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)CCNS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)CCNS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H21FN2O4S/c1-14-12-16(15(2)24(14)17-6-4-3-5-7-17)10-11-23-29(27,28)18-8-9-20(22)19(13-18)21(25)26/h3-9,12-13,23H,10-11H2,1-2H3,(H,25,26)