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

Systemtic Name: ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-methylsulfonyl-piperazine Openeye Name: 1-[(4-ethylphenyl)methyl]-4-methylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(4-ethylphenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid Traditional Name: 1-(4-ethylbenzyl)-4-mesyl-piperazine; oxalic acid Formula: C16H24N2O6S MolecularWeight: 372.43656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C.C(=O)(C(=O)O)O

InChI

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