5-(4-imidazol-1-yl-2-nitro-phenyl)sulfonylisoquinoline

Systemtic Name: 5-(4-imidazol-1-yl-2-nitro-phenyl)sulfonylisoquinoline Openeye Name: 5-(4-imidazol-1-yl-2-nitro-phenyl)sulfonylisoquinoline CAS Name: 5-[4-(1-imidazolyl)-2-nitrophenyl]sulfonylisoquinoline IUPAC Name: 5-(4-imidazol-1-yl-2-nitrophenyl)sulfonylisoquinoline Traditional Name: 5-(4-imidazol-1-yl-2-nitro-phenyl)sulfonylisoquinoline Formula: C18H12N4O4S MolecularWeight: 380.37728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)C3=C(C=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)C3=C(C=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O4S/c23-22(24)16-10-14(21-9-8-20-12-21)4-5-18(16)27(25,26)17-3-1-2-13-11-19-7-6-15(13)17/h1-12H