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

Systemtic Name: 5-(2-nitro-4-pyrrol-1-yl-phenyl)sulfonylisoquinoline Openeye Name: 5-(2-nitro-4-pyrrol-1-yl-phenyl)sulfonylisoquinoline CAS Name: 5-[2-nitro-4-(1-pyrrolyl)phenyl]sulfonylisoquinoline IUPAC Name: 5-(2-nitro-4-pyrrol-1-ylphenyl)sulfonylisoquinoline Traditional Name: 5-(2-nitro-4-pyrrol-1-yl-phenyl)sulfonylisoquinoline Formula: C19H13N3O4S MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=C1)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O4S/c23-22(24)17-12-15(21-10-1-2-11-21)6-7-19(17)27(25,26)18-5-3-4-14-13-20-9-8-16(14)18/h1-13H