2-[1-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazole

Systemtic Name: 2-[1-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazole Openeye Name: 2-[1-[(4-chloro-2-methylsulfonyl-phenyl)methyl]-4-piperidyl]-6-methyl-1H-benzimidazole CAS Name: 2-[1-[(4-chloro-2-methylsulfonylphenyl)methyl]-4-piperidinyl]-6-methyl-1H-benzimidazole IUPAC Name: 2-[1-[(4-chloro-2-methylsulfonylphenyl)methyl]piperidin-4-yl]-6-methyl-1H-benzimidazole Traditional Name: 2-[1-(4-chloro-2-mesyl-benzyl)-4-piperidyl]-6-methyl-1H-benzimidazole Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3CCN(CC3)CC4=C(C=C(C=C4)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3CCN(CC3)CC4=C(C=C(C=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H24ClN3O2S/c1-14-3-6-18-19(11-14)24-21(23-18)15-7-9-25(10-8-15)13-16-4-5-17(22)12-20(16)28(2,26)27/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,23,24)