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

Systemtic Name: 5-[(2-cyclopentyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]isoquinoline Openeye Name: 5-[(2-cyclopentyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]isoquinoline CAS Name: 5-[(2-cyclopentyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(2-cyclopentyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]isoquinoline Traditional Name: 5-[(2-cyclopentyl-6-nitro-3H-benzimidazol-5-yl)sulfonyl]isoquinoline Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC3=CC(=C(C=C3N2)S(=O)(=O)C4=CC=CC5=C4C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C2=NC3=CC(=C(C=C3N2)S(=O)(=O)C4=CC=CC5=C4C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c26-25(27)18-10-16-17(24-21(23-16)13-4-1-2-5-13)11-20(18)30(28,29)19-7-3-6-14-12-22-9-8-15(14)19/h3,6-13H,1-2,4-5H2,(H,23,24)