2-(2-methoxyphenyl)-5-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole

Systemtic Name: 2-(2-methoxyphenyl)-5-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Openeye Name: 2-(2-methoxyphenyl)-5-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-(2-methoxyphenyl)-5-[1-(3-nitrophenyl)sulfonyl-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(2-methoxyphenyl)-5-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Traditional Name: 2-(2-methoxyphenyl)-5-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole Formula: C20H20N4O5S2 MolecularWeight: 460.5266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(S2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(S2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

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