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

Systemtic Name: ethanedioic acid; 1-[(4-methylphenyl)methyl]-4-propylsulfonyl-piperazine Openeye Name: oxalic acid; 1-propylsulfonyl-4-(p-tolylmethyl)piperazine CAS Name: 1-[(4-methylphenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(4-methylphenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid Traditional Name: 1-(4-methylbenzyl)-4-propylsulfonyl-piperazine; oxalic acid Formula: C17H26N2O6S MolecularWeight: 386.46314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2S.C2H2O4/c1-3-12-20(18,19)17-10-8-16(9-11-17)13-15-6-4-14(2)5-7-15;3-1(4)2(5)6/h4-7H,3,8-13H2,1-2H3;(H,3,4)(H,5,6)