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

Systemtic Name: 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Formula: C13H17F3N2O2S MolecularWeight: 322.34649

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H17F3N2O2S/c1-17-6-3-7-18(9-8-17)21(19,20)12-5-2-4-11(10-12)13(14,15)16/h2,4-5,10H,3,6-9H2,1H3