2-[5-fluoranyl-2-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[3-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-(3-pyrrolidinosulfonylphenyl)sulfonyl-indol-3-yl]acetic acid Formula: C21H21FN2O6S2 MolecularWeight: 480.529643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C21H21FN2O6S2/c1-14-18(13-21(25)26)19-11-15(22)7-8-20(19)24(14)32(29,30)17-6-4-5-16(12-17)31(27,28)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,25,26)