3,5-dimethyl-4-[[4-(5-nitroquinolin-6-yl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[4-(5-nitroquinolin-6-yl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(5-nitro-6-quinolyl)-1,4-diazepan-1-yl]sulfonyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-(5-nitro-6-quinolinyl)-1,4-diazepan-1-yl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(5-nitroquinolin-6-yl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(5-nitro-6-quinolyl)-1,4-diazepan-1-yl]sulfonyl]isoxazole Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C3=C(C4=C(C=C3)N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C3=C(C4=C(C=C3)N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5S/c1-13-19(14(2)29-21-13)30(27,28)23-10-4-9-22(11-12-23)17-7-6-16-15(5-3-8-20-16)18(17)24(25)26/h3,5-8H,4,9-12H2,1-2H3