1-[(3,4-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-nosyl-4-veratryl-piperazine; oxalic acid Formula: C21H25N3O10S MolecularWeight: 511.5023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S.C2H2O4/c1-27-18-8-3-15(13-19(18)28-2)14-20-9-11-21(12-10-20)29(25,26)17-6-4-16(5-7-17)22(23)24;3-1(4)2(5)6/h3-8,13H,9-12,14H2,1-2H3;(H,3,4)(H,5,6)