1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-4-methyl-2-phenyl-piperazine hydrochloride

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-4-methyl-2-phenyl-piperazine hydrochloride Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methyl-2-phenyl-piperazine hydrochloride CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methyl-2-phenylpiperazine hydrochloride IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methyl-2-phenylpiperazine hydrochloride Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methyl-2-phenyl-piperazine hydrochloride Formula: C18H19Cl2F3N2O2S MolecularWeight: 455.32187

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl.Cl

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl.Cl

InChI

InChI=1S/C18H18ClF3N2O2S.ClH/c1-23-9-10-24(16(12-23)13-5-3-2-4-6-13)27(25,26)17-11-14(18(20,21)22)7-8-15(17)19;/h2-8,11,16H,9-10,12H2,1H3;1H