4-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoic acid

Systemtic Name: 4-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoic acid Openeye Name: 4-[1-(3-isopropylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoic acid CAS Name: 4-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)-2-indolyl]butanoic acid IUPAC Name: 4-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoic acid Traditional Name: 4-[1-m-cumenylsulfonyl-5-(trifluoromethyl)indol-2-yl]butyric acid Formula: C22H22F3NO4S MolecularWeight: 453.47459

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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=C2CCCC(=O)O

Isomeric SMILES

CC(C)C1=CC(=CC=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C(F)(F)F)C=C2CCCC(=O)O

InChI

InChI=1S/C22H22F3NO4S/c1-14(2)15-5-3-7-19(13-15)31(29,30)26-18(6-4-8-21(27)28)12-16-11-17(22(23,24)25)9-10-20(16)26/h3,5,7,9-14H,4,6,8H2,1-2H3,(H,27,28)