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

Systemtic Name: 2-(phenylmethyl)-5-[1-(phenylsulfonyl)piperidin-3-yl]-1,3,4-thiadiazole Openeye Name: 2-[1-(benzenesulfonyl)-3-piperidyl]-5-benzyl-1,3,4-thiadiazole CAS Name: 2-[1-(benzenesulfonyl)-3-piperidinyl]-5-(phenylmethyl)-1,3,4-thiadiazole IUPAC Name: 2-[1-(benzenesulfonyl)piperidin-3-yl]-5-benzyl-1,3,4-thiadiazole Traditional Name: 2-benzyl-5-(1-besyl-3-piperidyl)-1,3,4-thiadiazole Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S2/c24-27(25,18-11-5-2-6-12-18)23-13-7-10-17(15-23)20-22-21-19(26-20)14-16-8-3-1-4-9-16/h1-6,8-9,11-12,17H,7,10,13-15H2