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

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-(4-phenoxyphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-(4-phenoxyphenyl)sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-(4-phenoxyphenyl)sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-(4-phenoxyphenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-(4-phenoxyphenyl)sulfonyl-indol-3-yl]acetic acid Formula: C23H18FNO5S MolecularWeight: 439.456123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18FNO5S/c1-15-20(14-23(26)27)21-13-16(24)7-12-22(21)25(15)31(28,29)19-10-8-18(9-11-19)30-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,26,27)