1-(4-chlorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-(3-thienylmethyl)piperazine; oxalic acid CAS Name: 1-(4-chlorophenyl)sulfonyl-4-(3-thiophenylmethyl)piperazine; oxalic acid IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(3-thenyl)piperazine; oxalic acid Formula: C17H19ClN2O6S2 MolecularWeight: 446.92556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H17ClN2O2S2.C2H2O4/c16-14-1-3-15(4-2-14)22(19,20)18-8-6-17(7-9-18)11-13-5-10-21-12-13;3-1(4)2(5)6/h1-5,10,12H,6-9,11H2;(H,3,4)(H,5,6)