1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-ethyl-piperazine hydrochloride

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-ethyl-piperazine hydrochloride Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-ethyl-piperazine hydrochloride CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-ethylpiperazine hydrochloride IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-ethylpiperazine hydrochloride Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-ethyl-piperazine hydrochloride Formula: C13H17Cl2F3N2O2S MolecularWeight: 393.25249

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F.Cl

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F.Cl

InChI

InChI=1S/C13H16ClF3N2O2S.ClH/c1-2-18-5-7-19(8-6-18)22(20,21)10-3-4-12(14)11(9-10)13(15,16)17;/h3-4,9H,2,5-8H2,1H3;1H