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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2C=CN=C2

InChI

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