ethyl 2-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetate CAS Name: 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetate Traditional Name: 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazino]acetic acid ethyl ester Formula: C15H18ClF3N2O4S MolecularWeight: 414.82763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C15H18ClF3N2O4S/c1-2-25-14(22)10-20-5-7-21(8-6-20)26(23,24)13-9-11(15(17,18)19)3-4-12(13)16/h3-4,9H,2,5-8,10H2,1H3