2-[(4-methoxyphenyl)methyl]-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole Openeye Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(3-pyridylsulfonyl)-4-piperidyl]-1,3,4-thiadiazole CAS Name: 2-[(4-methoxyphenyl)methyl]-5-[1-(3-pyridinylsulfonyl)-4-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-[(4-methoxyphenyl)methyl]-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,3,4-thiadiazole Traditional Name: 2-p-anisyl-5-[1-(3-pyridylsulfonyl)-4-piperidyl]-1,3,4-thiadiazole Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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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=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(S2)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H22N4O3S2/c1-27-17-6-4-15(5-7-17)13-19-22-23-20(28-19)16-8-11-24(12-9-16)29(25,26)18-3-2-10-21-14-18/h2-7,10,14,16H,8-9,11-13H2,1H3