1-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-veratryl-piperazine; oxalic acid Formula: C21H25FN2O8S MolecularWeight: 484.495203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN2O4S.C2H2O4/c1-25-18-8-3-15(13-19(18)26-2)14-21-9-11-22(12-10-21)27(23,24)17-6-4-16(20)5-7-17;3-1(4)2(5)6/h3-8,13H,9-12,14H2,1-2H3;(H,3,4)(H,5,6)