N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-4-nitro-benzenesulfonamide Formula: C12H15N4O4S+ MolecularWeight: 311.3369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O4S/c17-16(18)11-2-4-12(5-3-11)21(19,20)14-6-1-8-15-9-7-13-10-15/h2-5,7,9-10,14H,1,6,8H2/p+1