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

Systemtic Name: ethanedioic acid; 1-methylsulfonyl-4-[(2-nitrophenyl)methyl]piperazine Openeye Name: 1-methylsulfonyl-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-methylsulfonyl-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-methylsulfonyl-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-mesyl-4-(2-nitrobenzyl)piperazine; oxalic acid Formula: C14H19N3O8S MolecularWeight: 389.38096

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17N3O4S.C2H2O4/c1-20(18,19)14-8-6-13(7-9-14)10-11-4-2-3-5-12(11)15(16)17;3-1(4)2(5)6/h2-5H,6-10H2,1H3;(H,3,4)(H,5,6)