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

Systemtic Name: 3,5-dimethyl-4-[[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazino]methyl]isoxazole Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O5S/c1-16-19(17(2)31-22-16)15-23-10-12-24(13-11-23)20-7-6-18(14-21(20)26(27)28)32(29,30)25-8-4-3-5-9-25/h6-7,14H,3-5,8-13,15H2,1-2H3