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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

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