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

Systemtic Name: 5-methyl-3-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]-1,2,4-oxadiazole Openeye Name: 5-methyl-3-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]-1,2,4-oxadiazole CAS Name: 5-methyl-3-[4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenoxy]phenyl]-1,2,4-oxadiazole IUPAC Name: 5-methyl-3-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenoxy]phenyl]-1,2,4-oxadiazole Traditional Name: 5-methyl-3-[4-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenoxy]phenyl]-1,2,4-oxadiazole Formula: C20H21N5O6S MolecularWeight: 459.47564

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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)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6S/c1-14-21-20(22-31-14)15-3-5-16(6-4-15)30-19-8-7-17(13-18(19)25(26)27)32(28,29)24-11-9-23(2)10-12-24/h3-8,13H,9-12H2,1-2H3