1-[(2,5-dimethoxyphenyl)methyl]-4-(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl-piperazine Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-fluoro-4,5-dimethoxy-phenyl)sulfonyl-piperazine CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperazine Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(2-fluoro-4,5-dimethoxy-phenyl)sulfonyl-piperazine Formula: C21H27FN2O6S MolecularWeight: 454.512283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)OC)OC)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)OC)OC)F

InChI

InChI=1S/C21H27FN2O6S/c1-27-16-5-6-18(28-2)15(11-16)14-23-7-9-24(10-8-23)31(25,26)21-13-20(30-4)19(29-3)12-17(21)22/h5-6,11-13H,7-10,14H2,1-4H3