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

Systemtic Name: ethanedioic acid; 1-[(3-methylphenyl)methyl]-4-methylsulfonyl-piperazine Openeye Name: 1-methylsulfonyl-4-(m-tolylmethyl)piperazine; oxalic acid CAS Name: 1-[(3-methylphenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-methylphenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid Traditional Name: 1-mesyl-4-(3-methylbenzyl)piperazine; oxalic acid Formula: C15H22N2O6S MolecularWeight: 358.40998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2O2S.C2H2O4/c1-12-4-3-5-13(10-12)11-14-6-8-15(9-7-14)18(2,16)17;3-1(4)2(5)6/h3-5,10H,6-9,11H2,1-2H3;(H,3,4)(H,5,6)