ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-propylsulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-propylsulfonyl-piperazine Openeye Name: 1-[(4-ethylphenyl)methyl]-4-propylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(4-ethylphenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid Traditional Name: 1-(4-ethylbenzyl)-4-propylsulfonyl-piperazine; oxalic acid Formula: C18H28N2O6S MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2S.C2H2O4/c1-3-13-21(19,20)18-11-9-17(10-12-18)14-16-7-5-15(4-2)6-8-16;3-1(4)2(5)6/h5-8H,3-4,9-14H2,1-2H3;(H,3,4)(H,5,6)