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

Systemtic Name: 4-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoic acid Openeye Name: 4-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoic acid CAS Name: 4-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)-2-indolyl]butanoic acid IUPAC Name: 4-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoic acid Traditional Name: 4-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butyric acid Formula: C23H24F3NO4S MolecularWeight: 467.50117

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)(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/C23H24F3NO4S/c1-22(2,3)16-6-4-8-19(14-16)32(30,31)27-18(7-5-9-21(28)29)13-15-12-17(23(24,25)26)10-11-20(15)27/h4,6,8,10-14H,5,7,9H2,1-3H3,(H,28,29)