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

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

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C4=NOC(=N4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C4=NOC(=N4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c1-14-4-3-11-24(13-14)32(28,29)18-9-10-20(19(12-18)25(26)27)30-17-7-5-16(6-8-17)21-22-15(2)31-23-21/h5-10,12,14H,3-4,11,13H2,1-2H3