1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]-1,4-diazepane Openeye Name: 1-(p-tolylsulfonyl)-4-[3-(trifluoromethyl)phenyl]-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]-1,4-diazepane Traditional Name: 1-tosyl-4-[3-(trifluoromethyl)phenyl]-1,4-diazepane Formula: C19H21F3N2O2S MolecularWeight: 398.44245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3N2O2S/c1-15-6-8-18(9-7-15)27(25,26)24-11-3-10-23(12-13-24)17-5-2-4-16(14-17)19(20,21)22/h2,4-9,14H,3,10-13H2,1H3