1-[2,3-bis(azanyl)-5-propylsulfonyl-pyridin-4-yl]hexan-1-one

Systemtic Name: 1-[2,3-bis(azanyl)-5-propylsulfonyl-pyridin-4-yl]hexan-1-one Openeye Name: 1-(2,3-diamino-5-propylsulfonyl-4-pyridyl)hexan-1-one CAS Name: 1-(2,3-diamino-5-propylsulfonyl-4-pyridinyl)-1-hexanone IUPAC Name: 1-(2,3-diamino-5-propylsulfonylpyridin-4-yl)hexan-1-one Traditional Name: 1-(2,3-diamino-5-propylsulfonyl-4-pyridyl)hexan-1-one Formula: C14H23N3O3S MolecularWeight: 313.41572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C(=NC=C1S(=O)(=O)CCC)N)N

Isomeric SMILES

CCCCCC(=O)C1=C(C(=NC=C1S(=O)(=O)CCC)N)N

InChI

InChI=1S/C14H23N3O3S/c1-3-5-6-7-10(18)12-11(21(19,20)8-4-2)9-17-14(16)13(12)15/h9H,3-8,15H2,1-2H3,(H2,16,17)