1-(4-methylphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-(p-tolylsulfonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-tosyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane Formula: C20H23F3N2O2S MolecularWeight: 412.46903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O2S/c1-16-3-9-19(10-4-16)28(26,27)25-12-2-11-24(13-14-25)15-17-5-7-18(8-6-17)20(21,22)23/h3-10H,2,11-15H2,1H3