ethanedioic acid; 1-ethyl-4-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-ethyl-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-ethyl-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-ethyl-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-ethyl-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-ethyl-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid Formula: C14H19N3O8S MolecularWeight: 389.38096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17N3O4S.C2H2O4/c1-2-13-7-9-14(10-8-13)20(18,19)12-6-4-3-5-11(12)15(16)17;3-1(4)2(5)6/h3-6H,2,7-10H2,1H3;(H,3,4)(H,5,6)