[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromanyl-2-fluoranyl-phenyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromanyl-2-fluoranyl-phenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-bromo-2-fluoro-phenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-bromo-2-fluorophenyl)methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromo-2-fluorophenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(4-bromo-2-fluoro-phenyl)methanone Formula: C19H16BrFN2OS MolecularWeight: 419.310543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(C=C(C=C2)Br)F)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=C(C=C(C=C2)Br)F)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16BrFN2OS/c20-13-7-8-14(15(21)10-13)19(24)23-9-3-4-12(11-23)18-22-16-5-1-2-6-17(16)25-18/h1-2,5-8,10,12H,3-4,9,11H2/t12-/m0/s1