2-[1-[4-(4-bromanylphenoxy)phenyl]sulfonyl-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[4-(4-bromanylphenoxy)phenyl]sulfonyl-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-[4-(4-bromophenoxy)phenyl]sulfonyl-5-fluoro-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[4-(4-bromophenoxy)phenyl]sulfonyl-5-fluoro-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-[4-(4-bromophenoxy)phenyl]sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-[4-(4-bromophenoxy)phenyl]sulfonyl-5-fluoro-2-methyl-indol-3-yl]acetic acid Formula: C23H17BrFNO5S MolecularWeight: 518.352183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Br)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Br)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C23H17BrFNO5S/c1-14-20(13-23(27)28)21-12-16(25)4-11-22(21)26(14)32(29,30)19-9-7-18(8-10-19)31-17-5-2-15(24)3-6-17/h2-12H,13H2,1H3,(H,27,28)