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

Systemtic Name: 2-(4-methoxyphenyl)-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(4-methoxyphenyl)-5-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-(4-methoxyphenyl)-5-[[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(4-methoxyphenyl)-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-(4-methoxyphenyl)-5-[[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]-1,3,4-oxadiazole Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S2/c1-14-4-3-11-24(13-14)33(28,29)17-9-10-19(18(12-17)25(26)27)32-21-23-22-20(31-21)15-5-7-16(30-2)8-6-15/h5-10,12,14H,3-4,11,13H2,1-2H3