4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-2-(trifluoromethyl)quinazoline CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(trifluoromethyl)quinazoline Traditional Name: 4-(4-tosyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)quinazoline Formula: C21H21F3N4O2S MolecularWeight: 450.47725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O2S/c1-15-7-9-16(10-8-15)31(29,30)28-12-4-11-27(13-14-28)19-17-5-2-3-6-18(17)25-20(26-19)21(22,23)24/h2-3,5-10H,4,11-14H2,1H3