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

Systemtic Name: 5-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoic acid Openeye Name: 5-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoic acid CAS Name: 5-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)-2-indolyl]pentanoic acid IUPAC Name: 5-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoic acid Traditional Name: 5-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]valeric acid Formula: C24H26F3NO4S MolecularWeight: 481.52775

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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=C2CCCCC(=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=C2CCCCC(=O)O

InChI

InChI=1S/C24H26F3NO4S/c1-23(2,3)17-7-6-9-20(15-17)33(31,32)28-19(8-4-5-10-22(29)30)14-16-13-18(24(25,26)27)11-12-21(16)28/h6-7,9,11-15H,4-5,8,10H2,1-3H3,(H,29,30)