N-phenethyl-2-[1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine

Systemtic Name: N-phenethyl-2-[1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Openeye Name: N-phenethyl-2-[1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: N-phenethyl-2-[1-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]ethyl]-4-quinazolinamine IUPAC Name: N-phenethyl-2-[1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Traditional Name: phenethyl-[2-[1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]ethyl]quinazolin-4-yl]amine Formula: C29H30F3N5O2S MolecularWeight: 569.64101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=N1)NCCC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=N1)NCCC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C29H30F3N5O2S/c1-21(36-17-19-37(20-18-36)40(38,39)24-13-11-23(12-14-24)29(30,31)32)27-34-26-10-6-5-9-25(26)28(35-27)33-16-15-22-7-3-2-4-8-22/h2-14,21H,15-20H2,1H3,(H,33,34,35)