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

Systemtic Name: methyl 5-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoate Openeye Name: methyl 5-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoate CAS Name: 5-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)-2-indolyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoate Traditional Name: 5-[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]valeric acid methyl ester Formula: C25H28F3NO4S MolecularWeight: 495.55433

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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)OC

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)OC

InChI

InChI=1S/C25H28F3NO4S/c1-24(2,3)18-8-7-10-21(16-18)34(31,32)29-20(9-5-6-11-23(30)33-4)15-17-14-19(25(26,27)28)12-13-22(17)29/h7-8,10,12-16H,5-6,9,11H2,1-4H3