N-(4-bromanyl-2-fluoranyl-phenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C17H17BrFN3O3S2 MolecularWeight: 474.367583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H17BrFN3O3S2/c18-12-3-5-15(14(19)9-12)21-16(23)11-26-17-6-4-13(10-20-17)27(24,25)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,21,23)