ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-m-anisyl-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid Formula: C20H23N3O9S MolecularWeight: 481.47632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21N3O5S.C2H2O4/c1-26-16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)27(24,25)18-8-3-2-7-17(18)21(22)23;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3;(H,3,4)(H,5,6)