4-(3-imidazol-1-yl-2-nitro-phenyl)sulfonylisoquinoline

Systemtic Name: 4-(3-imidazol-1-yl-2-nitro-phenyl)sulfonylisoquinoline Openeye Name: 4-(3-imidazol-1-yl-2-nitro-phenyl)sulfonylisoquinoline CAS Name: 4-[3-(1-imidazolyl)-2-nitrophenyl]sulfonylisoquinoline IUPAC Name: 4-(3-imidazol-1-yl-2-nitrophenyl)sulfonylisoquinoline Traditional Name: 4-(3-imidazol-1-yl-2-nitro-phenyl)sulfonylisoquinoline Formula: C18H12N4O4S MolecularWeight: 380.37728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2S(=O)(=O)C3=CC=CC(=C3[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2S(=O)(=O)C3=CC=CC(=C3[N+](=O)[O-])N4C=CN=C4

InChI

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