N-(3-azanylpropyl)-N-ethyl-2-fluoranyl-5-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-(3-azanylpropyl)-N-ethyl-2-fluoranyl-5-methylsulfonyl-benzenesulfonamide Openeye Name: N-(3-aminopropyl)-N-ethyl-2-fluoro-5-methylsulfonyl-benzenesulfonamide CAS Name: N-(3-aminopropyl)-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide IUPAC Name: N-(3-aminopropyl)-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide Traditional Name: N-(3-aminopropyl)-N-ethyl-2-fluoro-5-mesyl-benzenesulfonamide Formula: C12H19FN2O4S2 MolecularWeight: 338.418663

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCN)S(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C)F

Isomeric SMILES

CCN(CCCN)S(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C)F

InChI

InChI=1S/C12H19FN2O4S2/c1-3-15(8-4-7-14)21(18,19)12-9-10(20(2,16)17)5-6-11(12)13/h5-6,9H,3-4,7-8,14H2,1-2H3