(E)-[azanyl-[(3-fluoranyl-4-methoxy-phenyl)sulfonylamino]methylidene]-phenethyl-azanium

Systemtic Name: (E)-[azanyl-[(3-fluoranyl-4-methoxy-phenyl)sulfonylamino]methylidene]-phenethyl-azanium Openeye Name: (E)-[amino-[(3-fluoro-4-methoxy-phenyl)sulfonylamino]methylene]-phenethyl-ammonium CAS Name: (E)-[amino-[(3-fluoro-4-methoxyphenyl)sulfonylamino]methylidene]-phenethylammonium IUPAC Name: (E)-[amino-[(3-fluoro-4-methoxyphenyl)sulfonylamino]methylidene]-phenethylazanium Traditional Name: (E)-[amino-[(3-fluoro-4-methoxy-phenyl)sulfonylamino]methylene]-phenethyl-ammonium Formula: C16H19FN3O3S+ MolecularWeight: 352.403763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC(=[NH+]CCC2=CC=CC=C2)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N/C(=[NH+]/CCC2=CC=CC=C2)/N)F

InChI

InChI=1S/C16H18FN3O3S/c1-23-15-8-7-13(11-14(15)17)24(21,22)20-16(18)19-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H3,18,19,20)/p+1