N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-fluoro-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-fluoro-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-fluoro-3-piperidinosulfonyl-benzamide Formula: C23H27FN4O3S2 MolecularWeight: 490.613883

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H27FN4O3S2/c1-32-14-11-20(22-25-18-7-3-4-8-19(18)26-22)27-23(29)16-9-10-17(24)21(15-16)33(30,31)28-12-5-2-6-13-28/h3-4,7-10,15,20H,2,5-6,11-14H2,1H3,(H,25,26)(H,27,29)