2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-1-(4-mesylpiperazino)ethanone Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C21H23ClN4O3S2/c1-31(28,29)25-11-9-24(10-12-25)20(27)15-30-21-23-18-13-17(22)7-8-19(18)26(21)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3