5-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoic acid

Systemtic Name: 5-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoic acid Openeye Name: 5-[1-(3-isopropylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoic acid CAS Name: 5-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)-2-indolyl]pentanoic acid IUPAC Name: 5-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoic acid Traditional Name: 5-[1-m-cumenylsulfonyl-5-(trifluoromethyl)indol-2-yl]valeric acid Formula: C23H24F3NO4S MolecularWeight: 467.50117

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C(F)(F)F)C=C2CCCCC(=O)O

Isomeric SMILES

CC(C)C1=CC(=CC=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C(F)(F)F)C=C2CCCCC(=O)O

InChI

InChI=1S/C23H24F3NO4S/c1-15(2)16-6-5-8-20(14-16)32(30,31)27-19(7-3-4-9-22(28)29)13-17-12-18(23(24,25)26)10-11-21(17)27/h5-6,8,10-15H,3-4,7,9H2,1-2H3,(H,28,29)