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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-fluoro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-fluoro-3-pyrrolidinosulfonyl-benzamide Formula: C22H25FN4O3S2 MolecularWeight: 476.587303

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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)N4CCCC4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25FN4O3S2/c1-31-13-10-19(21-24-17-6-2-3-7-18(17)25-21)26-22(28)15-8-9-16(23)20(14-15)32(29,30)27-11-4-5-12-27/h2-3,6-9,14,19H,4-5,10-13H2,1H3,(H,24,25)(H,26,28)/t19-/m0/s1