tert-butyl 5-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoate

Systemtic Name: tert-butyl 5-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoate Openeye Name: tert-butyl 5-[1-(3-isopropylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoate CAS Name: 5-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)-2-indolyl]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]pentanoate Traditional Name: 5-[1-m-cumenylsulfonyl-5-(trifluoromethyl)indol-2-yl]valeric acid tert-butyl ester Formula: C27H32F3NO4S MolecularWeight: 523.60749

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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=C2CCCCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1=CC(=CC=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C(F)(F)F)C=C2CCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C27H32F3NO4S/c1-18(2)19-9-8-11-23(17-19)36(33,34)31-22(10-6-7-12-25(32)35-26(3,4)5)16-20-15-21(27(28,29)30)13-14-24(20)31/h8-9,11,13-18H,6-7,10,12H2,1-5H3