5-methyl-3-[3-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-methyl-3-[3-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]-1,2,4-oxadiazole Openeye Name: 5-methyl-3-[3-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]phenyl]-1,2,4-oxadiazole CAS Name: 5-methyl-3-[3-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]phenyl]-1,2,4-oxadiazole IUPAC Name: 5-methyl-3-[3-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]phenyl]-1,2,4-oxadiazole Traditional Name: 5-methyl-3-[3-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenoxy]phenyl]-1,2,4-oxadiazole Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C4=NOC(=N4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C4=NOC(=N4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c1-14-8-10-24(11-9-14)32(28,29)18-6-7-20(19(13-18)25(26)27)30-17-5-3-4-16(12-17)21-22-15(2)31-23-21/h3-7,12-14H,8-11H2,1-2H3