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

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-(p-tolylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-[(4-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-[(4-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-(4-methylbenzyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Formula: C20H23F3N2O2S MolecularWeight: 412.46903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O2S/c1-16-6-8-17(9-7-16)15-24-10-3-11-25(13-12-24)28(26,27)19-5-2-4-18(14-19)20(21,22)23/h2,4-9,14H,3,10-13,15H2,1H3