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

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-2-ethyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-2-ethyl-4-[3-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: 1-(4-tert-butylphenyl)sulfonyl-2-ethyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-2-ethyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-2-ethyl-4-[3-(trifluoromethyl)-2-pyridyl]piperazine Formula: C22H28F3N3O2S MolecularWeight: 455.53683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=N3)C(F)(F)F

Isomeric SMILES

CCC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=N3)C(F)(F)F

InChI

InChI=1S/C22H28F3N3O2S/c1-5-17-15-27(20-19(22(23,24)25)7-6-12-26-20)13-14-28(17)31(29,30)18-10-8-16(9-11-18)21(2,3)4/h6-12,17H,5,13-15H2,1-4H3