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

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-(p-tolylmethyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-[(4-methylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-[(4-methylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-(4-methylbenzyl)-4-[4-(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=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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