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

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-benzylsulfonyl-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-benzylsulfonyl-4-(3-ethoxy-4-methoxy-benzyl)piperazine; oxalic acid Formula: C23H30N2O8S MolecularWeight: 494.5579

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O4S.C2H2O4/c1-3-27-21-15-19(9-10-20(21)26-2)16-22-11-13-23(14-12-22)28(24,25)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)