[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-fluoro-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-(4-fluoro-3-piperidinosulfonyl-phenyl)methanone Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3C4=NC5=CC=CC=C5N4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC[C@H]3C4=NC5=CC=CC=C5N4)F

InChI

InChI=1S/C23H25FN4O3S/c24-17-11-10-16(15-21(17)32(30,31)27-12-4-1-5-13-27)23(29)28-14-6-9-20(28)22-25-18-7-2-3-8-19(18)26-22/h2-3,7-8,10-11,15,20H,1,4-6,9,12-14H2,(H,25,26)/t20-/m0/s1