2-[[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]quinazolin-4-amine

Systemtic Name: 2-[[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]quinazolin-4-amine Openeye Name: 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]quinazolin-4-amine CAS Name: 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]quinazolin-4-amine Traditional Name: [2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]quinazolin-4-yl]amine Formula: C20H19ClF3N5O2S MolecularWeight: 485.91037

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C20H19ClF3N5O2S/c21-16-6-5-13(11-15(16)20(22,23)24)32(30,31)29-9-7-28(8-10-29)12-18-26-17-4-2-1-3-14(17)19(25)27-18/h1-6,11H,7-10,12H2,(H2,25,26,27)