1-[2,3-bis(azanyl)-5-butan-2-ylsulfonyl-pyridin-4-yl]-2,2-bis(fluoranyl)-3-iodanyl-propan-1-one

Systemtic Name: 1-[2,3-bis(azanyl)-5-butan-2-ylsulfonyl-pyridin-4-yl]-2,2-bis(fluoranyl)-3-iodanyl-propan-1-one Openeye Name: 1-(2,3-diamino-5-sec-butylsulfonyl-4-pyridyl)-2,2-difluoro-3-iodo-propan-1-one CAS Name: 1-(2,3-diamino-5-butan-2-ylsulfonyl-4-pyridinyl)-2,2-difluoro-3-iodo-1-propanone IUPAC Name: 1-(2,3-diamino-5-butan-2-ylsulfonylpyridin-4-yl)-2,2-difluoro-3-iodopropan-1-one Traditional Name: 1-(2,3-diamino-5-sec-butylsulfonyl-4-pyridyl)-2,2-difluoro-3-iodo-propan-1-one Formula: C12H16F2IN3O3S MolecularWeight: 447.240016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)C1=CN=C(C(=C1C(=O)C(CI)(F)F)N)N

Isomeric SMILES

CCC(C)S(=O)(=O)C1=CN=C(C(=C1C(=O)C(CI)(F)F)N)N

InChI

InChI=1S/C12H16F2IN3O3S/c1-3-6(2)22(20,21)7-4-18-11(17)9(16)8(7)10(19)12(13,14)5-15/h4,6H,3,5,16H2,1-2H3,(H2,17,18)