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

Systemtic Name: 5-methyl-3-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]-1,2,4-oxadiazole Openeye Name: 5-methyl-3-[4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]phenyl]-1,2,4-oxadiazole CAS Name: 5-methyl-3-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]phenyl]-1,2,4-oxadiazole IUPAC Name: 5-methyl-3-[4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)phenyl]-1,2,4-oxadiazole Traditional Name: 5-methyl-3-[4-(2-nitro-4-piperidinosulfonyl-phenoxy)phenyl]-1,2,4-oxadiazole Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S/c1-14-21-20(22-30-14)15-5-7-16(8-6-15)29-19-10-9-17(13-18(19)24(25)26)31(27,28)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3