3-methyl-5-[1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-3-yl]-1,2,4-oxadiazole

Systemtic Name: 3-methyl-5-[1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-3-yl]-1,2,4-oxadiazole Openeye Name: 3-methyl-5-[1-(4-methylsulfonyl-2-nitro-phenyl)-3-piperidyl]-1,2,4-oxadiazole CAS Name: 3-methyl-5-[1-(4-methylsulfonyl-2-nitrophenyl)-3-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-methyl-5-[1-(4-methylsulfonyl-2-nitrophenyl)piperidin-3-yl]-1,2,4-oxadiazole Traditional Name: 5-[1-(4-mesyl-2-nitro-phenyl)-3-piperidyl]-3-methyl-1,2,4-oxadiazole Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C2CCCN(C2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=N1)C2CCCN(C2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O5S/c1-10-16-15(24-17-10)11-4-3-7-18(9-11)13-6-5-12(25(2,22)23)8-14(13)19(20)21/h5-6,8,11H,3-4,7,9H2,1-2H3