4-(4-methyl-3-nitro-phenyl)sulfonyl-N'-nitro-piperazine-1-carboximidamide

Systemtic Name: 4-(4-methyl-3-nitro-phenyl)sulfonyl-N'-nitro-piperazine-1-carboximidamide Openeye Name: 4-(4-methyl-3-nitro-phenyl)sulfonyl-N'-nitro-piperazine-1-carboxamidine CAS Name: 4-(4-methyl-3-nitrophenyl)sulfonyl-N'-nitro-1-piperazinecarboximidamide IUPAC Name: 4-(4-methyl-3-nitrophenyl)sulfonyl-N'-nitropiperazine-1-carboximidamide Traditional Name: 4-(4-methyl-3-nitro-phenyl)sulfonyl-N'-nitro-piperazine-1-carboxamidine Formula: C12H16N6O6S MolecularWeight: 372.35704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=N[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)/C(=N/[N+](=O)[O-])/N)[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O6S/c1-9-2-3-10(8-11(9)17(19)20)25(23,24)16-6-4-15(5-7-16)12(13)14-18(21)22/h2-3,8H,4-7H2,1H3,(H2,13,14)