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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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