N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-2-chloranyl-6-fluoranyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-yl-ethyl]-2-chloranyl-6-fluoranyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-2-chloro-6-fluoro-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridinyl)ethyl]-2-chloro-6-fluorobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-pyridin-3-ylethyl]-2-chloro-6-fluorobenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylsulfonyl)-2-(3-pyridyl)ethyl]-2-chloro-6-fluoro-benzamide Formula: C21H16ClFN2O5S MolecularWeight: 462.878543

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)C3=C(C=CC=C3Cl)F)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)S(=O)(=O)C(CNC(=O)C3=C(C=CC=C3Cl)F)C4=CN=CC=C4

InChI

InChI=1S/C21H16ClFN2O5S/c22-15-4-1-5-16(23)20(15)21(26)25-11-19(13-3-2-8-24-10-13)31(27,28)14-6-7-17-18(9-14)30-12-29-17/h1-10,19H,11-12H2,(H,25,26)