ethanedioic acid; 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: ethanedioic acid; 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2,6-dimethoxy-phenol; oxalic acid CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-2,6-dimethoxyphenol; oxalic acid IUPAC Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2,6-dimethoxyphenol; oxalic acid Traditional Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazino]methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C21H25FN2O9S MolecularWeight: 500.494603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23FN2O5S.C2H2O4/c1-26-17-11-14(12-18(27-2)19(17)23)13-21-7-9-22(10-8-21)28(24,25)16-5-3-15(20)4-6-16;3-1(4)2(5)6/h3-6,11-12,23H,7-10,13H2,1-2H3;(H,3,4)(H,5,6)