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

Systemtic Name: 2-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-5-phenyl-1,3,4-oxadiazole CAS Name: 2-[[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-[[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]-5-phenyl-1,3,4-oxadiazole Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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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=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S2/c1-14-6-5-11-23(13-14)31(27,28)16-9-10-18(17(12-16)24(25)26)30-20-22-21-19(29-20)15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3