4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenesulfonamide Openeye Name: 4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenesulfonamide CAS Name: 4-[3-(1-imidazolyl)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-(3-imidazol-1-ylpropylamino)-3-nitrobenzenesulfonamide Traditional Name: 4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenesulfonamide Formula: C12H15N5O4S MolecularWeight: 325.3436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])NCCCN2C=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])NCCCN2C=CN=C2

InChI

InChI=1S/C12H15N5O4S/c13-22(20,21)10-2-3-11(12(8-10)17(18)19)15-4-1-6-16-7-5-14-9-16/h2-3,5,7-9,15H,1,4,6H2,(H2,13,20,21)