azepan-1-yl-[1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]methanone Formula: C19H24ClF3N2O3S MolecularWeight: 452.91867

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H24ClF3N2O3S/c20-17-6-5-15(13-16(17)19(21,22)23)29(27,28)25-11-7-14(8-12-25)18(26)24-9-3-1-2-4-10-24/h5-6,13-14H,1-4,7-12H2