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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)CC3=NOC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)CC3=NOC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O5S/c1-12-8-16(21(22)23)10-17(14(12)3)27(24,25)20-6-4-19(5-7-20)11-15-9-13(2)26-18-15/h8-10H,4-7,11H2,1-3H3