N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-[(4-fluorophenyl)sulfonylamino]benzenecarboximidate

Systemtic Name: N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-[(4-fluorophenyl)sulfonylamino]benzenecarboximidate Openeye Name: N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-[(4-fluorophenyl)sulfonylamino]benzenecarboximidate CAS Name: N-[[6-(diethylamino)-3-pyridin-1-iumyl]methyl]-2-[(4-fluorophenyl)sulfonylamino]benzenecarboximidate IUPAC Name: N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-[(4-fluorophenyl)sulfonylamino]benzenecarboximidate Traditional Name: N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-[(4-fluorophenyl)sulfonylamino]benzenecarboximidate Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=[NH+]C=C(C=C1)CN=C(C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F)[O-]

Isomeric SMILES

CCN(CC)C1=[NH+]C=C(C=C1)CN=C(C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C23H25FN4O3S/c1-3-28(4-2)22-14-9-17(15-25-22)16-26-23(29)20-7-5-6-8-21(20)27-32(30,31)19-12-10-18(24)11-13-19/h5-15,27H,3-4,16H2,1-2H3,(H,26,29)