ethanedioic acid; 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine Openeye Name: 1-ethylsulfonyl-4-(o-tolylmethyl)piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-esyl-4-(2-methylbenzyl)piperazine; oxalic acid Formula: C16H24N2O6S MolecularWeight: 372.43656

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2C.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22N2O2S.C2H2O4/c1-3-19(17,18)16-10-8-15(9-11-16)12-14-7-5-4-6-13(14)2;3-1(4)2(5)6/h4-7H,3,8-12H2,1-2H3;(H,3,4)(H,5,6)