2-[5-fluoranyl-2-methyl-3-[[3-(phenylmethyl)sulfonylphenyl]methyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-3-[[3-(phenylmethyl)sulfonylphenyl]methyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(3-benzylsulfonylphenyl)methyl]-5-fluoro-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-3-[[3-(phenylmethyl)sulfonylphenyl]methyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(3-benzylsulfonylphenyl)methyl]-5-fluoro-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-(3-benzylsulfonylbenzyl)-5-fluoro-2-methyl-indol-1-yl]acetic acid Formula: C25H22FNO4S MolecularWeight: 451.509883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=CC(=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=CC(=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H22FNO4S/c1-17-22(23-14-20(26)10-11-24(23)27(17)15-25(28)29)13-19-8-5-9-21(12-19)32(30,31)16-18-6-3-2-4-7-18/h2-12,14H,13,15-16H2,1H3,(H,28,29)