[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-(3,4-diethoxyphenyl)methanone

Systemtic Name: [4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-(3,4-diethoxyphenyl)methanone Openeye Name: [4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-(3,4-diethoxyphenyl)methanone CAS Name: [4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-(3,4-diethoxyphenyl)methanone IUPAC Name: [4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-(3,4-diethoxyphenyl)methanone Traditional Name: [4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-(3,4-diethoxyphenyl)methanone Formula: C21H24ClFN2O5S MolecularWeight: 470.942063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)OCC

InChI

InChI=1S/C21H24ClFN2O5S/c1-3-29-19-8-5-15(13-20(19)30-4-2)21(26)24-9-11-25(12-10-24)31(27,28)16-6-7-18(23)17(22)14-16/h5-8,13-14H,3-4,9-12H2,1-2H3