N-[bis(azanyl)methylidene]-2-ethyl-4-[(3-fluorophenyl)amino]-5-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-4-[(3-fluorophenyl)amino]-5-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-(3-fluoroanilino)-5-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-4-(3-fluoroanilino)-5-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-4-(3-fluoroanilino)-5-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-4-(3-fluoroanilino)-5-mesyl-benzamide Formula: C17H19FN4O3S MolecularWeight: 378.421163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)NC2=CC(=CC=C2)F

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)NC2=CC(=CC=C2)F

InChI

InChI=1S/C17H19FN4O3S/c1-3-10-7-14(21-12-6-4-5-11(18)8-12)15(26(2,24)25)9-13(10)16(23)22-17(19)20/h4-9,21H,3H2,1-2H3,(H4,19,20,22,23)