2-(4-methoxyphenyl)-5-[1-(phenylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole

Systemtic Name: 2-(4-methoxyphenyl)-5-[1-(phenylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-[1-(benzenesulfonyl)-3-piperidyl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-[1-(benzenesulfonyl)-3-piperidinyl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(benzenesulfonyl)piperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-(1-besyl-3-piperidyl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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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

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(S2)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c1-26-17-11-9-15(10-12-17)19-21-22-20(27-19)16-6-5-13-23(14-16)28(24,25)18-7-3-2-4-8-18/h2-4,7-12,16H,5-6,13-14H2,1H3