1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-1,4-diazepane

Systemtic Name: 1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-1,4-diazepane Openeye Name: 1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-1,4-diazepane CAS Name: 1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-1,4-diazepane IUPAC Name: 1-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-1,4-diazepane Traditional Name: 1-[4-mesyl-2-(trifluoromethyl)phenyl]-1,4-diazepane Formula: C13H17F3N2O2S MolecularWeight: 322.34649

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCNCC2)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCNCC2)C(F)(F)F

InChI

InChI=1S/C13H17F3N2O2S/c1-21(19,20)10-3-4-12(11(9-10)13(14,15)16)18-7-2-5-17-6-8-18/h3-4,9,17H,2,5-8H2,1H3