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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(S2)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(S2)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

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