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

Systemtic Name: ethanedioic acid; 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-methylsulfonyl-piperazine Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-methylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-mesyl-piperazine; oxalic acid Formula: C22H28N2O8S MolecularWeight: 480.53132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCN(CC2)S(=O)(=O)C)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCN(CC2)S(=O)(=O)C)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O4S.C2H2O4/c1-25-20-14-18(15-21-10-12-22(13-11-21)27(2,23)24)8-9-19(20)26-16-17-6-4-3-5-7-17;3-1(4)2(5)6/h3-9,14H,10-13,15-16H2,1-2H3;(H,3,4)(H,5,6)