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

Systemtic Name: ethanedioic acid; 1-(furan-2-ylmethyl)-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(2-furylmethyl)piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-(2-furanylmethyl)piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-(furan-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-besyl-4-(2-furfuryl)piperazine; oxalic acid Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18N2O3S.C2H2O4/c18-21(19,15-6-2-1-3-7-15)17-10-8-16(9-11-17)13-14-5-4-12-20-14;3-1(4)2(5)6/h1-7,12H,8-11,13H2;(H,3,4)(H,5,6)