ethanedioic acid; 1-(furan-2-ylmethoxy)-3-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-ol

Systemtic Name: ethanedioic acid; 1-(furan-2-ylmethoxy)-3-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2-furylmethoxy)propan-2-ol; oxalic acid CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(2-furanylmethoxy)-2-propanol; oxalic acid IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol; oxalic acid Traditional Name: 1-(4-besylpiperazino)-3-(2-furfuryloxy)propan-2-ol; oxalic acid Formula: C20H26N2O9S MolecularWeight: 470.49344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC=CO2)O)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC=CO2)O)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H24N2O5S.C2H2O4/c21-16(14-24-15-17-5-4-12-25-17)13-19-8-10-20(11-9-19)26(22,23)18-6-2-1-3-7-18;3-1(4)2(5)6/h1-7,12,16,21H,8-11,13-15H2;(H,3,4)(H,5,6)