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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid Traditional Name: oxalic acid; 1-propylsulfonyl-4-veratryl-piperazine Formula: C18H28N2O8S MolecularWeight: 432.48852

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H26N2O4S.C2H2O4/c1-4-11-23(19,20)18-9-7-17(8-10-18)13-14-5-6-15(21-2)16(12-14)22-3;3-1(4)2(5)6/h5-6,12H,4,7-11,13H2,1-3H3;(H,3,4)(H,5,6)