ethanedioic acid; 1-[(2-fluorophenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(2-fluorophenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(2-fluorophenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(2-fluorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(2-fluorobenzyl)-4-nosyl-piperazine; oxalic acid Formula: C19H20FN3O8S MolecularWeight: 469.440803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18FN3O4S.C2H2O4/c18-17-4-2-1-3-14(17)13-19-9-11-20(12-10-19)26(24,25)16-7-5-15(6-8-16)21(22)23;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)