ethanedioic acid; 1-ethylsulfonyl-4-[(3-methylphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-[(3-methylphenyl)methyl]piperazine Openeye Name: 1-ethylsulfonyl-4-(m-tolylmethyl)piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-[(3-methylphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-ethylsulfonyl-4-[(3-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-esyl-4-(3-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(=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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