2-(1-butylsulfonylpiperidin-3-yl)-5-(phenylmethyl)-1,3,4-thiadiazole

Systemtic Name: 2-(1-butylsulfonylpiperidin-3-yl)-5-(phenylmethyl)-1,3,4-thiadiazole Openeye Name: 2-benzyl-5-(1-butylsulfonyl-3-piperidyl)-1,3,4-thiadiazole CAS Name: 2-(1-butylsulfonyl-3-piperidinyl)-5-(phenylmethyl)-1,3,4-thiadiazole IUPAC Name: 2-benzyl-5-(1-butylsulfonylpiperidin-3-yl)-1,3,4-thiadiazole Traditional Name: 2-benzyl-5-(1-butylsulfonyl-3-piperidyl)-1,3,4-thiadiazole Formula: C18H25N3O2S2 MolecularWeight: 379.54

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCCC(C1)C2=NN=C(S2)CC3=CC=CC=C3

Isomeric SMILES

CCCCS(=O)(=O)N1CCCC(C1)C2=NN=C(S2)CC3=CC=CC=C3

InChI

InChI=1S/C18H25N3O2S2/c1-2-3-12-25(22,23)21-11-7-10-16(14-21)18-20-19-17(24-18)13-15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3