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

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-thienylmethyl)piperazine; oxalic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-thiophenylmethyl)piperazine; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-(thiophen-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-thenyl)piperazine; oxalic acid Formula: C18H22N2O7S2 MolecularWeight: 442.50648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20N2O3S2.C2H2O4/c1-21-15-2-4-16(5-3-15)23(19,20)18-9-7-17(8-10-18)12-14-6-11-22-13-14;3-1(4)2(5)6/h2-6,11,13H,7-10,12H2,1H3;(H,3,4)(H,5,6)