1-(4-methylphenyl)sulfonyl-4-[2-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[2-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-(p-tolylsulfonyl)-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-tosyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane Formula: C19H21F3N2O5S2 MolecularWeight: 478.50565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C19H21F3N2O5S2/c1-15-7-9-16(10-8-15)30(25,26)23-11-4-12-24(14-13-23)31(27,28)18-6-3-2-5-17(18)29-19(20,21)22/h2-3,5-10H,4,11-14H2,1H3