4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-chloranyl-pyrimidin-2-amine

Systemtic Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-chloranyl-pyrimidin-2-amine Openeye Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-chloro-pyrimidin-2-amine CAS Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-6-chloro-2-pyrimidinamine IUPAC Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-chloropyrimidin-2-amine Traditional Name: [4-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazino]-6-chloro-pyrimidin-2-yl]amine Formula: C16H14ClF6N5O2S MolecularWeight: 489.823079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC(=N2)N)Cl)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC(=NC(=N2)N)Cl)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H14ClF6N5O2S/c17-12-8-13(26-14(24)25-12)27-1-3-28(4-2-27)31(29,30)11-6-9(15(18,19)20)5-10(7-11)16(21,22)23/h5-8H,1-4H2,(H2,24,25,26)