3-(1-imidazol-1-ylpropyl)-2-nitro-benzenesulfonamide

Systemtic Name: 3-(1-imidazol-1-ylpropyl)-2-nitro-benzenesulfonamide Openeye Name: 3-(1-imidazol-1-ylpropyl)-2-nitro-benzenesulfonamide CAS Name: 3-[1-(1-imidazolyl)propyl]-2-nitrobenzenesulfonamide IUPAC Name: 3-(1-imidazol-1-ylpropyl)-2-nitrobenzenesulfonamide Traditional Name: 3-(1-imidazol-1-ylpropyl)-2-nitro-benzenesulfonamide Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC=C1)S(=O)(=O)N)[N+](=O)[O-])N2C=CN=C2

Isomeric SMILES

CCC(C1=C(C(=CC=C1)S(=O)(=O)N)[N+](=O)[O-])N2C=CN=C2

InChI

InChI=1S/C12H14N4O4S/c1-2-10(15-7-6-14-8-15)9-4-3-5-11(21(13,19)20)12(9)16(17)18/h3-8,10H,2H2,1H3,(H2,13,19,20)