3,5-dimethyl-4-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[4-(8-nitro-5-isoquinolyl)piperazino]sulfonyl-isoxazole Formula: C18H19N5O5S MolecularWeight: 417.43896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5S/c1-12-18(13(2)28-20-12)29(26,27)22-9-7-21(8-10-22)16-3-4-17(23(24)25)15-11-19-6-5-14(15)16/h3-6,11H,7-10H2,1-2H3