2-azaniumylethylsulfonyl-(4-methyl-3-nitro-phenyl)azanide

Systemtic Name: 2-azaniumylethylsulfonyl-(4-methyl-3-nitro-phenyl)azanide Openeye Name: 2-azaniumylethylsulfonyl-(4-methyl-3-nitro-phenyl)azanide CAS Name: 2-ammonioethylsulfonyl-(4-methyl-3-nitrophenyl)azanide IUPAC Name: 2-azaniumylethylsulfonyl-(4-methyl-3-nitrophenyl)azanide Traditional Name: 2-ammonioethylsulfonyl-(4-methyl-3-nitro-phenyl)azanide Formula: C9H13N3O4S MolecularWeight: 259.28222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N-]S(=O)(=O)CC[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N-]S(=O)(=O)CC[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C9H12N3O4S/c1-7-2-3-8(6-9(7)12(13)14)11-17(15,16)5-4-10/h2-3,6H,4-5,10H2,1H3/q-1/p+1