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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

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