(2S)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine

Systemtic Name: (2S)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: (2S)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[3-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: (2S)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: (2S)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: (2S)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-[3-(trifluoromethyl)-2-pyridyl]piperazine Formula: C21H26F3N3O2S MolecularWeight: 441.51025

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=N3)C(F)(F)F

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=N3)C(F)(F)F

InChI

InChI=1S/C21H26F3N3O2S/c1-15-14-26(19-18(21(22,23)24)6-5-11-25-19)12-13-27(15)30(28,29)17-9-7-16(8-10-17)20(2,3)4/h5-11,15H,12-14H2,1-4H3/t15-/m0/s1