N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-fluoro-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-fluoro-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-fluoro-3-piperidinosulfonyl-benzamide Formula: C21H21FN2O6S MolecularWeight: 448.464643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4)OCO2

InChI

InChI=1S/C21H21FN2O6S/c1-13(25)15-10-18-19(30-12-29-18)11-17(15)23-21(26)14-5-6-16(22)20(9-14)31(27,28)24-7-3-2-4-8-24/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,23,26)