3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(3-chloro-4,5-dimethoxy-phenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: 3-(3-chloro-4,5-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(3-chloro-4,5-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(3-chloro-4,5-dimethoxy-phenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C21H22ClFN2O5S MolecularWeight: 468.926183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)Cl)OC

InChI

InChI=1S/C21H22ClFN2O5S/c1-29-19-14-15(13-18(22)21(19)30-2)3-8-20(26)24-9-11-25(12-10-24)31(27,28)17-6-4-16(23)5-7-17/h3-8,13-14H,9-12H2,1-2H3