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

Systemtic Name: ethanedioic acid; 1-[(2-nitrophenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(2-nitrophenyl)methyl]-4-(phenylmethyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-benzylsulfonyl-4-[(2-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-benzylsulfonyl-4-(2-nitrobenzyl)piperazine; oxalic acid Formula: C20H23N3O8S MolecularWeight: 465.47692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21N3O4S.C2H2O4/c22-21(23)18-9-5-4-8-17(18)14-19-10-12-20(13-11-19)26(24,25)15-16-6-2-1-3-7-16;3-1(4)2(5)6/h1-9H,10-15H2;(H,3,4)(H,5,6)