2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]acetamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCCC(C3)C4=NC5=CC=CC=C5S4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4)OCO2

InChI

InChI=1S/C23H23N3O4S/c1-14(27)16-9-19-20(30-13-29-19)10-18(16)24-22(28)12-26-8-4-5-15(11-26)23-25-17-6-2-3-7-21(17)31-23/h2-3,6-7,9-10,15H,4-5,8,11-13H2,1H3,(H,24,28)/t15-/m0/s1