3,5-dimethyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]isoxazole Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=C(ON=C3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=C(ON=C3C)C

InChI

InChI=1S/C17H22N4O5S/c1-12-4-5-15(21(22)23)10-17(12)27(24,25)20-8-6-19(7-9-20)11-16-13(2)18-26-14(16)3/h4-5,10H,6-9,11H2,1-3H3