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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

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