4-(4-methylphenyl)sulfonyl-N'-nitro-piperazine-1-carboximidamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N'-nitro-piperazine-1-carboximidamide Openeye Name: N'-nitro-4-(p-tolylsulfonyl)piperazine-1-carboxamidine CAS Name: 4-(4-methylphenyl)sulfonyl-N'-nitro-1-piperazinecarboximidamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N'-nitropiperazine-1-carboximidamide Traditional Name: N'-nitro-4-tosyl-piperazine-1-carboxamidine Formula: C12H17N5O4S MolecularWeight: 327.35948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O4S/c1-10-2-4-11(5-3-10)22(20,21)16-8-6-15(7-9-16)12(13)14-17(18)19/h2-5H,6-9H2,1H3,(H2,13,14)