4-imidazol-1-yl-1-(2-nitrophenyl)sulfonyl-isoquinoline

Systemtic Name: 4-imidazol-1-yl-1-(2-nitrophenyl)sulfonyl-isoquinoline Openeye Name: 4-imidazol-1-yl-1-(2-nitrophenyl)sulfonyl-isoquinoline CAS Name: 4-(1-imidazolyl)-1-(2-nitrophenyl)sulfonylisoquinoline IUPAC Name: 4-imidazol-1-yl-1-(2-nitrophenyl)sulfonylisoquinoline Traditional Name: 4-imidazol-1-yl-1-(2-nitrophenyl)sulfonyl-isoquinoline Formula: C18H12N4O4S MolecularWeight: 380.37728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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