1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-bromanylphenoxy)ethanone

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-bromanylphenoxy)ethanone Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(3-bromophenoxy)ethanone CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(3-bromophenoxy)ethanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-bromophenoxy)ethanone Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(3-bromophenoxy)ethanone Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC2=CC(=CC=C2)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19BrN2O2S/c21-15-6-3-7-16(11-15)25-13-19(24)23-10-4-5-14(12-23)20-22-17-8-1-2-9-18(17)26-20/h1-3,6-9,11,14H,4-5,10,12-13H2/t14-/m0/s1