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

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

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