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

Systemtic Name: ethanedioic acid; 1-(phenylmethyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine Openeye Name: 1-benzylsulfonyl-4-(3-thienylmethyl)piperazine; oxalic acid CAS Name: oxalic acid; 1-(phenylmethyl)sulfonyl-4-(3-thiophenylmethyl)piperazine IUPAC Name: 1-benzylsulfonyl-4-(thiophen-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-benzylsulfonyl-4-(3-thenyl)piperazine; oxalic acid Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20N2O2S2.C2H2O4/c19-22(20,14-15-4-2-1-3-5-15)18-9-7-17(8-10-18)12-16-6-11-21-13-16;3-1(4)2(5)6/h1-6,11,13H,7-10,12,14H2;(H,3,4)(H,5,6)