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

Systemtic Name: 5-methyl-3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]isoxazole Formula: C16H20N4O5S MolecularWeight: 380.4188

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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=NOC(=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=NOC(=C3)C

InChI

InChI=1S/C16H20N4O5S/c1-12-3-4-15(20(21)22)10-16(12)26(23,24)19-7-5-18(6-8-19)11-14-9-13(2)25-17-14/h3-4,9-10H,5-8,11H2,1-2H3