4-ethyl-3-methylsulfonyl-N-phenyl-6-piperazin-1-yl-2-(trifluoromethyl)aniline

Systemtic Name: 4-ethyl-3-methylsulfonyl-N-phenyl-6-piperazin-1-yl-2-(trifluoromethyl)aniline Openeye Name: 4-ethyl-3-methylsulfonyl-N-phenyl-6-piperazin-1-yl-2-(trifluoromethyl)aniline CAS Name: 4-ethyl-3-methylsulfonyl-N-phenyl-6-(1-piperazinyl)-2-(trifluoromethyl)aniline IUPAC Name: 4-ethyl-3-methylsulfonyl-N-phenyl-6-piperazin-1-yl-2-(trifluoromethyl)aniline Traditional Name: [4-ethyl-3-mesyl-6-piperazino-2-(trifluoromethyl)phenyl]-phenyl-amine Formula: C20H24F3N3O2S MolecularWeight: 427.48367

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1S(=O)(=O)C)C(F)(F)F)NC2=CC=CC=C2)N3CCNCC3

Isomeric SMILES

CCC1=CC(=C(C(=C1S(=O)(=O)C)C(F)(F)F)NC2=CC=CC=C2)N3CCNCC3

InChI

InChI=1S/C20H24F3N3O2S/c1-3-14-13-16(26-11-9-24-10-12-26)18(25-15-7-5-4-6-8-15)17(20(21,22)23)19(14)29(2,27)28/h4-8,13,24-25H,3,9-12H2,1-2H3