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

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Openeye Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(2-nitrophenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(2-nitrophenyl)sulfonyl-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Traditional Name: 2-[1-(2-nitrophenyl)sulfonyl-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=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

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