4-(2,4-dimethylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[3-(trifluoromethyl)benzyl]piperazine-1-carboxamide Formula: C21H24F3N3O3S MolecularWeight: 455.49377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)C

InChI

InChI=1S/C21H24F3N3O3S/c1-15-6-7-19(16(2)12-15)31(29,30)27-10-8-26(9-11-27)20(28)25-14-17-4-3-5-18(13-17)21(22,23)24/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,28)