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

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-besyl-4-(3-ethoxy-4-methoxy-benzyl)piperazine; oxalic acid Formula: C22H28N2O8S MolecularWeight: 480.53132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S.C2H2O4/c1-3-26-20-15-17(9-10-19(20)25-2)16-21-11-13-22(14-12-21)27(23,24)18-7-5-4-6-8-18;3-1(4)2(5)6/h4-10,15H,3,11-14,16H2,1-2H3;(H,3,4)(H,5,6)