1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-piperonyl-piperazine; oxalic acid Formula: C20H21N3O10S MolecularWeight: 495.45984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19N3O6S.C2H2O4/c22-21(23)15-3-1-2-4-18(15)28(24,25)20-9-7-19(8-10-20)12-14-5-6-16-17(11-14)27-13-26-16;3-1(4)2(5)6/h1-6,11H,7-10,12-13H2;(H,3,4)(H,5,6)