5-chloranyl-2-[(1S)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 5-chloranyl-2-[(1S)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[(1S)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]benzimidazole CAS Name: 5-chloro-2-[(1S)-1-(4-methylsulfonyl-1-piperazinyl)ethyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(1S)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[(1S)-1-(4-mesylpiperazino)ethyl]benzimidazole Formula: C21H25ClN4O2S MolecularWeight: 432.9668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN4O2S/c1-16(24-10-12-25(13-11-24)29(2,27)28)21-23-19-14-18(22)8-9-20(19)26(21)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3/t16-/m0/s1