2-(phenylmethoxymethyl)-5-[1-(phenylmethyl)sulfonylpiperidin-2-yl]-1,3,4-thiadiazole

Systemtic Name: 2-(phenylmethoxymethyl)-5-[1-(phenylmethyl)sulfonylpiperidin-2-yl]-1,3,4-thiadiazole Openeye Name: 2-(benzyloxymethyl)-5-(1-benzylsulfonyl-2-piperidyl)-1,3,4-thiadiazole CAS Name: 2-(phenylmethoxymethyl)-5-[1-(phenylmethyl)sulfonyl-2-piperidinyl]-1,3,4-thiadiazole IUPAC Name: 2-(1-benzylsulfonylpiperidin-2-yl)-5-(phenylmethoxymethyl)-1,3,4-thiadiazole Traditional Name: 2-(benzoxymethyl)-5-(1-benzylsulfonyl-2-piperidyl)-1,3,4-thiadiazole Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NN=C(S2)COCC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C2=NN=C(S2)COCC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c26-30(27,17-19-11-5-2-6-12-19)25-14-8-7-13-20(25)22-24-23-21(29-22)16-28-15-18-9-3-1-4-10-18/h1-6,9-12,20H,7-8,13-17H2