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

Systemtic Name: methyl 4-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoate Openeye Name: methyl 4-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoate CAS Name: 4-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)-2-indolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoate Traditional Name: 4-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butyric acid methyl ester 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=C2CCCC(=O)OC

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)OC

InChI

InChI=1S/C24H26F3NO4S/c1-23(2,3)17-7-5-9-20(15-17)33(30,31)28-19(8-6-10-22(29)32-4)14-16-13-18(24(25,26)27)11-12-21(16)28/h5,7,9,11-15H,6,8,10H2,1-4H3