2-[1-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]piperidin-4-yl]-1H-benzimidazole

Systemtic Name: 2-[1-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]piperidin-4-yl]-1H-benzimidazole Openeye Name: 2-[1-[(4-chloro-2-methylsulfonyl-phenyl)methyl]-4-piperidyl]-1H-benzimidazole CAS Name: 2-[1-[(4-chloro-2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1H-benzimidazole IUPAC Name: 2-[1-[(4-chloro-2-methylsulfonylphenyl)methyl]piperidin-4-yl]-1H-benzimidazole Traditional Name: 2-[1-(4-chloro-2-mesyl-benzyl)-4-piperidyl]-1H-benzimidazole Formula: C20H22ClN3O2S MolecularWeight: 403.92558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)Cl)CN2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)Cl)CN2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H22ClN3O2S/c1-27(25,26)19-12-16(21)7-6-15(19)13-24-10-8-14(9-11-24)20-22-17-4-2-3-5-18(17)23-20/h2-7,12,14H,8-11,13H2,1H3,(H,22,23)