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

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazine Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-ethylsulfonyl-piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-ethylsulfonyl-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-esyl-piperazine; oxalic acid Formula: C23H30N2O8S MolecularWeight: 494.5579

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O4S.C2H2O4/c1-3-28(24,25)23-13-11-22(12-14-23)16-19-9-10-20(26-2)21(15-19)27-17-18-7-5-4-6-8-18;3-1(4)2(5)6/h4-10,15H,3,11-14,16-17H2,1-2H3;(H,3,4)(H,5,6)