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

Systemtic Name: 2-(4-methylphenyl)-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-(4-methylphenyl)-5-[[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(4-methylphenyl)-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-[[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S2/c1-14-5-7-16(8-6-14)20-22-23-21(30-20)31-19-10-9-17(12-18(19)25(26)27)32(28,29)24-11-3-4-15(2)13-24/h5-10,12,15H,3-4,11,13H2,1-2H3