N-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-3-fluoro-benzamide CAS Name: N-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-3-fluorobenzamide IUPAC Name: N-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-fluorobenzamide Traditional Name: N-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-3-fluoro-benzamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O2S/c22-16-7-3-5-14(11-16)20(27)23-12-19(26)25-10-4-6-15(13-25)21-24-17-8-1-2-9-18(17)28-21/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,23,27)/t15-/m0/s1