1-[(4-tert-butylphenyl)methyl]-4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-piperazine CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine Traditional Name: 1-(4-tert-butylbenzyl)-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-piperazine Formula: C22H26ClF3N2O2S MolecularWeight: 474.96725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C22H26ClF3N2O2S/c1-21(2,3)17-6-4-16(5-7-17)15-27-10-12-28(13-11-27)31(29,30)20-14-18(22(24,25)26)8-9-19(20)23/h4-9,14H,10-13,15H2,1-3H3