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

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Openeye Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(4-nitrophenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(4-nitrophenyl)sulfonyl-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Traditional Name: 2-(1-nosyl-4-piperidyl)-5-p-anisyl-1,3,4-thiadiazole Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(S2)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(S2)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c1-30-18-6-2-15(3-7-18)14-20-22-23-21(31-20)16-10-12-24(13-11-16)32(28,29)19-8-4-17(5-9-19)25(26)27/h2-9,16H,10-14H2,1H3