ethanedioic acid; 1-ethylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-ethylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-ethylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-esyl-4-(3,4,5-trimethoxybenzyl)piperazine; oxalic acid Formula: C18H28N2O9S MolecularWeight: 448.48792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O5S.C2H2O4/c1-5-24(19,20)18-8-6-17(7-9-18)12-13-10-14(21-2)16(23-4)15(11-13)22-3;3-1(4)2(5)6/h10-11H,5-9,12H2,1-4H3;(H,3,4)(H,5,6)