1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine

Systemtic Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine Openeye Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine CAS Name: 1-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine IUPAC Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine Traditional Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)benzyl]piperazine Formula: C17H21F3N4O2S MolecularWeight: 402.43445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F)C

InChI

InChI=1S/C17H21F3N4O2S/c1-13-16(12-22(2)21-13)27(25,26)24-8-6-23(7-9-24)11-14-4-3-5-15(10-14)17(18,19)20/h3-5,10,12H,6-9,11H2,1-2H3