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

Systemtic Name: ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(4-ethylphenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(4-ethylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(4-ethylbenzyl)-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O4S.C2H2O4/c1-2-16-7-9-17(10-8-16)15-20-11-13-21(14-12-20)27(25,26)19-6-4-3-5-18(19)22(23)24;3-1(4)2(5)6/h3-10H,2,11-15H2,1H3;(H,3,4)(H,5,6)