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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-ethylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(4-chlorophenyl)methyl]-4-ethylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(4-chlorophenyl)methyl]-4-ethylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-ethylsulfonylpiperazine; oxalic acid Traditional Name: 1-(4-chlorobenzyl)-4-esyl-piperazine; oxalic acid Formula: C15H21ClN2O6S MolecularWeight: 392.85504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2O2S.C2H2O4/c1-2-19(17,18)16-9-7-15(8-10-16)11-12-3-5-13(14)6-4-12;3-1(4)2(5)6/h3-6H,2,7-11H2,1H3;(H,3,4)(H,5,6)