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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-[4-(methylthio)benzyl]piperazine; oxalic acid Formula: C20H23ClN2O6S2 MolecularWeight: 486.98942

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21ClN2O2S2.C2H2O4/c1-24-17-6-2-15(3-7-17)14-20-10-12-21(13-11-20)25(22,23)18-8-4-16(19)5-9-18;3-1(4)2(5)6/h2-9H,10-14H2,1H3;(H,3,4)(H,5,6)