N-[bis(azanyl)methylidene]-2-ethyl-4-(4-fluoranylphenoxy)-5-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-4-(4-fluoranylphenoxy)-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-(4-fluorophenoxy)-5-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-4-(4-fluorophenoxy)-5-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-4-(4-fluorophenoxy)-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-4-(4-fluorophenoxy)-5-mesyl-benzamide Formula: C17H18FN3O4S MolecularWeight: 379.405923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)OC2=CC=C(C=C2)F

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)OC2=CC=C(C=C2)F

InChI

InChI=1S/C17H18FN3O4S/c1-3-10-8-14(25-12-6-4-11(18)5-7-12)15(26(2,23)24)9-13(10)16(22)21-17(19)20/h4-9H,3H2,1-2H3,(H4,19,20,21,22)