ethanedioic acid; furan-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; furan-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 2-furyl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone; oxalic acid CAS Name: 2-furanyl-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone; oxalic acid IUPAC Name: furan-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone; oxalic acid Traditional Name: 2-furyl-(4-nosylpiperazino)methanone; oxalic acid Formula: C17H17N3O10S MolecularWeight: 455.39598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15N3O6S.C2H2O4/c19-15(14-2-1-11-24-14)16-7-9-17(10-8-16)25(22,23)13-5-3-12(4-6-13)18(20)21;3-1(4)2(5)6/h1-6,11H,7-10H2;(H,3,4)(H,5,6)