1-(4-tert-butylphenyl)sulfonyl-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazine

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine Formula: C20H23ClF3N3O2S MolecularWeight: 461.92873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H23ClF3N3O2S/c1-19(2,3)14-4-6-16(7-5-14)30(28,29)27-10-8-26(9-11-27)18-17(21)12-15(13-25-18)20(22,23)24/h4-7,12-13H,8-11H2,1-3H3