3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazolidine-2-thione

Systemtic Name: 3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazolidine-2-thione Openeye Name: 3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]oxazolidine-2-thione CAS Name: 3-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-oxazolidinethione IUPAC Name: 3-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazolidine-2-thione Traditional Name: 3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]oxazolidine-2-thione Formula: C15H21N4O6S2+ MolecularWeight: 417.48044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3CCOC3=S)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3CCOC3=S)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O6S2/c1-24-14-3-2-12(10-13(14)19(20)21)27(22,23)18-6-4-16(5-7-18)11-17-8-9-25-15(17)26/h2-3,10H,4-9,11H2,1H3/p+1