1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylazepane

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylazepane Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazepane CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazepane IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazepane Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazepane Formula: C13H15ClF3NO2S MolecularWeight: 341.77691

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C13H15ClF3NO2S/c14-12-6-5-10(9-11(12)13(15,16)17)21(19,20)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8H2