ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-propylsulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-propylsulfonyl-piperazine Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-propylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-propylsulfonyl-piperazine; oxalic acid Formula: C19H30N2O8S MolecularWeight: 446.5151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O4S.C2H2O4/c1-4-12-24(20,21)19-10-8-18(9-11-19)14-15-6-7-16(22-3)17(13-15)23-5-2;3-1(4)2(5)6/h6-7,13H,4-5,8-12,14H2,1-3H3;(H,3,4)(H,5,6)