N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-3-fluoranyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-fluoro-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-3-fluorobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-3-fluorobenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-3-fluoro-benzamide Formula: C21H17FN2O5S MolecularWeight: 428.433483

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)C3=CC(=CC=C3)F)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)C3=CC(=CC=C3)F)C4=CN=CC=C4

InChI

InChI=1S/C21H17FN2O5S/c22-16-5-1-3-14(9-16)21(25)24-12-20(15-4-2-8-23-11-15)30(26,27)17-6-7-18-19(10-17)29-13-28-18/h1-11,20H,12-13H2,(H,24,25)