2-[4-[ethanoyl-(4-methylsulfinylphenyl)amino]-6-fluoranyl-2-methyl-3H-inden-1-yl]ethanoic acid

Systemtic Name: 2-[4-[ethanoyl-(4-methylsulfinylphenyl)amino]-6-fluoranyl-2-methyl-3H-inden-1-yl]ethanoic acid Openeye Name: 2-[4-(N-acetyl-4-methylsulfinyl-anilino)-6-fluoro-2-methyl-3H-inden-1-yl]acetic acid CAS Name: 2-[4-(N-acetyl-4-methylsulfinylanilino)-6-fluoro-2-methyl-3H-inden-1-yl]acetic acid IUPAC Name: 2-[4-(N-acetyl-4-methylsulfinylanilino)-6-fluoro-2-methyl-3H-inden-1-yl]acetic acid Traditional Name: 2-[4-(N-acetyl-4-methylsulfinyl-anilino)-6-fluoro-2-methyl-3H-inden-1-yl]acetic acid Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=CC(=C2C1)N(C3=CC=C(C=C3)S(=O)C)C(=O)C)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC(=CC(=C2C1)N(C3=CC=C(C=C3)S(=O)C)C(=O)C)F)CC(=O)O

InChI

InChI=1S/C21H20FNO4S/c1-12-8-19-18(17(12)11-21(25)26)9-14(22)10-20(19)23(13(2)24)15-4-6-16(7-5-15)28(3)27/h4-7,9-10H,8,11H2,1-3H3,(H,25,26)