5-[(2-cyclopentyl-5-nitro-1H-benzimidazol-4-yl)sulfinyl]isoquinoline

Systemtic Name: 5-[(2-cyclopentyl-5-nitro-1H-benzimidazol-4-yl)sulfinyl]isoquinoline Openeye Name: 5-[(2-cyclopentyl-5-nitro-1H-benzimidazol-4-yl)sulfinyl]isoquinoline CAS Name: 5-[(2-cyclopentyl-5-nitro-1H-benzimidazol-4-yl)sulfinyl]isoquinoline IUPAC Name: 5-[(2-cyclopentyl-5-nitro-1H-benzimidazol-4-yl)sulfinyl]isoquinoline Traditional Name: 5-[(2-cyclopentyl-5-nitro-1H-benzimidazol-4-yl)sulfinyl]isoquinoline Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC3=C(N2)C=CC(=C3S(=O)C4=CC=CC5=C4C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C2=NC3=C(N2)C=CC(=C3S(=O)C4=CC=CC5=C4C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c26-25(27)17-9-8-16-19(24-21(23-16)13-4-1-2-5-13)20(17)29(28)18-7-3-6-14-12-22-11-10-15(14)18/h3,6-13H,1-2,4-5H2,(H,23,24)