N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: (4-methoxy-3-piperidinosulfonyl-phenyl)-[2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C21H21F3N4O3S MolecularWeight: 466.47665

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H21F3N4O3S/c1-31-17-10-9-14(13-18(17)32(29,30)28-11-5-2-6-12-28)25-19-15-7-3-4-8-16(15)26-20(27-19)21(22,23)24/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,25,26,27)