1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine Formula: C16H18ClF3N4O2S MolecularWeight: 422.85293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClF3N4O2S/c1-11-14(15(17)22(2)21-11)27(25,26)24-8-6-23(7-9-24)13-5-3-4-12(10-13)16(18,19)20/h3-5,10H,6-9H2,1-2H3