5-[1-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[1-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[1-[(4-chloro-2-methylsulfonyl-phenyl)methyl]-4-piperidyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[1-[(4-chloro-2-methylsulfonylphenyl)methyl]-4-piperidinyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[1-[(4-chloro-2-methylsulfonylphenyl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[1-(4-chloro-2-mesyl-benzyl)-4-piperidyl]-3-phenyl-1,2,4-oxadiazole Formula: C21H22ClN3O3S MolecularWeight: 431.93568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)Cl)CN2CCC(CC2)C3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)Cl)CN2CCC(CC2)C3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O3S/c1-29(26,27)19-13-18(22)8-7-17(19)14-25-11-9-16(10-12-25)21-23-20(24-28-21)15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3