1-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazino]butane-1,4-dione Formula: C22H25FN2O6S MolecularWeight: 464.507103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O6S/c1-30-20-9-3-16(15-21(20)31-2)19(26)8-10-22(27)24-11-13-25(14-12-24)32(28,29)18-6-4-17(23)5-7-18/h3-7,9,15H,8,10-14H2,1-2H3