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

Systemtic Name: 1-(4-ethylphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-(4-ethylphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-(4-ethylphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-(4-ethylphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-(4-ethylphenyl)sulfonyl-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane Formula: C21H25F3N2O2S MolecularWeight: 426.49561

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N2O2S/c1-2-17-6-10-20(11-7-17)29(27,28)26-13-3-12-25(14-15-26)16-18-4-8-19(9-5-18)21(22,23)24/h4-11H,2-3,12-16H2,1H3