1-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C14H16ClF3N2O3S MolecularWeight: 384.80165

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C14H16ClF3N2O3S/c1-10(21)19-5-2-6-20(8-7-19)24(22,23)13-9-11(14(16,17)18)3-4-12(13)15/h3-4,9H,2,5-8H2,1H3