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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-(p-tolylsulfonyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-tosyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Formula: C19H21F3N2O4S2 MolecularWeight: 462.50625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F3N2O4S2/c1-15-3-7-17(8-4-15)29(25,26)23-11-2-12-24(14-13-23)30(27,28)18-9-5-16(6-10-18)19(20,21)22/h3-10H,2,11-14H2,1H3