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

Systemtic Name: ethanedioic acid; 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-propylsulfonyl-piperazine Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-propylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-propylsulfonyl-piperazine; oxalic acid Formula: C24H32N2O8S MolecularWeight: 508.58448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S.C2H2O4/c1-3-15-29(25,26)24-13-11-23(12-14-24)17-20-9-10-21(22(16-20)27-2)28-18-19-7-5-4-6-8-19;3-1(4)2(5)6/h4-10,16H,3,11-15,17-18H2,1-2H3;(H,3,4)(H,5,6)