1-(4-methylsulfonylpiperazin-1-yl)-2-[2-(2-oxidanylpropylamino)benzimidazol-1-yl]ethanone

Systemtic Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[2-(2-oxidanylpropylamino)benzimidazol-1-yl]ethanone Openeye Name: 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[2-(2-hydroxypropylamino)-1-benzimidazolyl]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-1-(4-mesylpiperazino)ethanone Formula: C17H25N5O4S MolecularWeight: 395.4765

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=CC=CC=C2N1CC(=O)N3CCN(CC3)S(=O)(=O)C)O

Isomeric SMILES

CC(CNC1=NC2=CC=CC=C2N1CC(=O)N3CCN(CC3)S(=O)(=O)C)O

InChI

InChI=1S/C17H25N5O4S/c1-13(23)11-18-17-19-14-5-3-4-6-15(14)22(17)12-16(24)20-7-9-21(10-8-20)27(2,25)26/h3-6,13,23H,7-12H2,1-2H3,(H,18,19)