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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane Formula: C12H14ClF3N2O2S MolecularWeight: 342.76497

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C12H14ClF3N2O2S/c13-11-3-2-9(8-10(11)12(14,15)16)21(19,20)18-6-1-4-17-5-7-18/h2-3,8,17H,1,4-7H2