1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-4-methyl-1,4-diazepane

Systemtic Name: 1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-4-methyl-1,4-diazepane Openeye Name: 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-methyl-1,4-diazepane CAS Name: 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-methyl-1,4-diazepane IUPAC Name: 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-methyl-1,4-diazepane Traditional Name: 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-4-methyl-1,4-diazepane Formula: C13H16BrF3N2O3S MolecularWeight: 417.24195

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

InChI

InChI=1S/C13H16BrF3N2O3S/c1-18-5-2-6-19(8-7-18)23(20,21)12-4-3-10(14)9-11(12)22-13(15,16)17/h3-4,9H,2,5-8H2,1H3