5-(3-ethyl-2-methyl-6-nitro-benzimidazol-5-yl)sulfonylisoquinoline

Systemtic Name: 5-(3-ethyl-2-methyl-6-nitro-benzimidazol-5-yl)sulfonylisoquinoline Openeye Name: 5-(3-ethyl-2-methyl-6-nitro-benzimidazol-5-yl)sulfonylisoquinoline CAS Name: 5-[(3-ethyl-2-methyl-6-nitro-5-benzimidazolyl)sulfonyl]isoquinoline IUPAC Name: 5-(3-ethyl-2-methyl-6-nitrobenzimidazol-5-yl)sulfonylisoquinoline Traditional Name: 5-(3-ethyl-2-methyl-6-nitro-benzimidazol-5-yl)sulfonylisoquinoline Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CC(=C(C=C21)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NC2=CC(=C(C=C21)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)[N+](=O)[O-])C

InChI

InChI=1S/C19H16N4O4S/c1-3-22-12(2)21-15-9-17(23(24)25)19(10-16(15)22)28(26,27)18-6-4-5-13-11-20-8-7-14(13)18/h4-11H,3H2,1-2H3