tert-butyl 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]acetate CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]acetic acid tert-butyl ester Formula: C16H22ClFN2O4S MolecularWeight: 392.873283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClFN2O4S/c1-16(2,3)24-15(21)11-19-6-8-20(9-7-19)25(22,23)12-4-5-14(18)13(17)10-12/h4-5,10H,6-9,11H2,1-3H3