1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-3-(2,3-dimethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-3-(2,3-dimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-3-(2,3-dimethoxyphenyl)propan-1-one CAS Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-3-(2,3-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2,3-dimethoxyphenyl)propan-1-one Traditional Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-3-(2,3-dimethoxyphenyl)propan-1-one Formula: C21H24ClFN2O5S MolecularWeight: 470.942063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN2O5S/c1-29-19-5-3-4-15(21(19)30-2)6-9-20(26)24-10-12-25(13-11-24)31(27,28)16-7-8-18(23)17(22)14-16/h3-5,7-8,14H,6,9-13H2,1-2H3