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

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazine Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-mesyl-piperazine; oxalic acid Formula: C17H26N2O8S MolecularWeight: 418.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)S(=O)(=O)C)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)S(=O)(=O)C)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H24N2O4S.C2H2O4/c1-4-21-15-11-13(5-6-14(15)20-2)12-16-7-9-17(10-8-16)22(3,18)19;3-1(4)2(5)6/h5-6,11H,4,7-10,12H2,1-3H3;(H,3,4)(H,5,6)