N-(2-oxidanylbutyl)-3-[tris(bromanyl)methylsulfonyl]benzamide

Systemtic Name: N-(2-oxidanylbutyl)-3-[tris(bromanyl)methylsulfonyl]benzamide Openeye Name: N-(2-hydroxybutyl)-3-(tribromomethylsulfonyl)benzamide CAS Name: N-(2-hydroxybutyl)-3-(tribromomethylsulfonyl)benzamide IUPAC Name: N-(2-hydroxybutyl)-3-(tribromomethylsulfonyl)benzamide Traditional Name: N-(2-hydroxybutyl)-3-(tribromomethylsulfonyl)benzamide Formula: C12H14Br3NO4S MolecularWeight: 508.02086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)C(Br)(Br)Br)O

Isomeric SMILES

CCC(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)C(Br)(Br)Br)O

InChI

InChI=1S/C12H14Br3NO4S/c1-2-9(17)7-16-11(18)8-4-3-5-10(6-8)21(19,20)12(13,14)15/h3-6,9,17H,2,7H2,1H3,(H,16,18)