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

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Openeye Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(3-nitrophenyl)sulfonyl-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole Traditional Name: 2-[1-(3-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/c1-30-18-7-5-15(6-8-18)13-20-22-23-21(31-20)16-9-11-24(12-10-16)32(28,29)19-4-2-3-17(14-19)25(26)27/h2-8,14,16H,9-13H2,1H3