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

Systemtic Name: ethanedioic acid; 1-[(2-methylphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-(4-nitrophenyl)sulfonyl-4-(o-tolylmethyl)piperazine; oxalic acid CAS Name: 1-[(2-methylphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(2-methylbenzyl)-4-nosyl-piperazine; oxalic acid Formula: C20H23N3O8S MolecularWeight: 465.47692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21N3O4S.C2H2O4/c1-15-4-2-3-5-16(15)14-19-10-12-20(13-11-19)26(24,25)18-8-6-17(7-9-18)21(22)23;3-1(4)2(5)6/h2-9H,10-14H2,1H3;(H,3,4)(H,5,6)