1-[(3-chlorophenyl)methyl]-4-propylsulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-propylsulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(3-chlorophenyl)methyl]-4-propylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-chlorophenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid Traditional Name: 1-(3-chlorobenzyl)-4-propylsulfonyl-piperazine; oxalic acid Formula: C16H23ClN2O6S MolecularWeight: 406.88162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN2O2S.C2H2O4/c1-2-10-20(18,19)17-8-6-16(7-9-17)12-13-4-3-5-14(15)11-13;3-1(4)2(5)6/h3-5,11H,2,6-10,12H2,1H3;(H,3,4)(H,5,6)