N-(3-chloranylpropyl)-1-[tris(bromanyl)methylsulfonyl]isoquinoline-5-carboxamide

Systemtic Name: N-(3-chloranylpropyl)-1-[tris(bromanyl)methylsulfonyl]isoquinoline-5-carboxamide Openeye Name: N-(3-chloropropyl)-1-(tribromomethylsulfonyl)isoquinoline-5-carboxamide CAS Name: N-(3-chloropropyl)-1-(tribromomethylsulfonyl)-5-isoquinolinecarboxamide IUPAC Name: N-(3-chloropropyl)-1-(tribromomethylsulfonyl)isoquinoline-5-carboxamide Traditional Name: N-(3-chloropropyl)-1-(tribromomethylsulfonyl)isoquinoline-5-carboxamide Formula: C14H12Br3ClN2O3S MolecularWeight: 563.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2S(=O)(=O)C(Br)(Br)Br)C(=C1)C(=O)NCCCCl

Isomeric SMILES

C1=CC2=C(C=CN=C2S(=O)(=O)C(Br)(Br)Br)C(=C1)C(=O)NCCCCl

InChI

InChI=1S/C14H12Br3ClN2O3S/c15-14(16,17)24(22,23)13-11-4-1-3-10(9(11)5-8-20-13)12(21)19-7-2-6-18/h1,3-5,8H,2,6-7H2,(H,19,21)