ethanedioic acid; 1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfonyl-piperazine Openeye Name: 1-(2-furylmethyl)-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-(2-furanylmethyl)-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(2-furfuryl)-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid Formula: C18H22N2O8S MolecularWeight: 426.44088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20N2O4S.C2H2O4/c1-21-14-4-6-16(7-5-14)23(19,20)18-10-8-17(9-11-18)13-15-3-2-12-22-15;3-1(4)2(5)6/h2-7,12H,8-11,13H2,1H3;(H,3,4)(H,5,6)