N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3-nitro-benzenesulfonamide Formula: C12H15N4O4S+ MolecularWeight: 311.3369

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCC[NH+]2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCC[NH+]2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4S/c17-16(18)11-3-1-4-12(9-11)21(19,20)14-5-2-7-15-8-6-13-10-15/h1,3-4,6,8-10,14H,2,5,7H2/p+1