2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(5-bromanyl-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(5-bromanyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(5-bromo-1H-indol-3-yl)acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(5-bromo-1H-indol-3-yl)acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(5-bromo-1H-indol-3-yl)acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)piperidino]-2-(5-bromo-1H-indol-3-yl)acetic acid Formula: C22H20BrN3O2S MolecularWeight: 470.3821

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CNC3=C2C=C(C=C3)Br)C(=O)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)C(C2=CNC3=C2C=C(C=C3)Br)C(=O)O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20BrN3O2S/c23-14-7-8-17-15(10-14)16(11-24-17)20(22(27)28)26-9-3-4-13(12-26)21-25-18-5-1-2-6-19(18)29-21/h1-2,5-8,10-11,13,20,24H,3-4,9,12H2,(H,27,28)