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5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]isoquinoline

5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]isoquinoline

Systemtic Name:5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]isoquinoline
Openeye Name:5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]isoquinoline
CAS Name:5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]isoquinoline
IUPAC Name:5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]isoquinoline
Traditional Name:5-[(2-ethyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]isoquinoline
Formula: C18H14N4O4S
MolecularWeight: 382.39316
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC(=C(C=C2N1)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]


Isomeric SMILES

CCC1=NC2=CC(=C(C=C2N1)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]


InChI

InChI=1S/C18H14N4O4S/c1-2-18-20-13-8-15(22(23)24)17(9-14(13)21-18)27(25,26)16-5-3-4-11-10-19-7-6-12(11)16/h3-10H,2H2,1H3,(H,20,21)


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