N-(3-imidazol-1-ylquinoxalin-2-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(3-imidazol-1-ylquinoxalin-2-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(3-imidazol-1-ylquinoxalin-2-yl)-3-nitro-benzenesulfonamide CAS Name: N-[3-(1-imidazolyl)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(3-imidazol-1-ylquinoxalin-2-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(3-imidazol-1-ylquinoxalin-2-yl)-3-nitro-benzenesulfonamide Formula: C17H12N6O4S MolecularWeight: 396.37998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)N3C=CN=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)N3C=CN=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O4S/c24-23(25)12-4-3-5-13(10-12)28(26,27)21-16-17(22-9-8-18-11-22)20-15-7-2-1-6-14(15)19-16/h1-11H,(H,19,21)