N-[bis(azanyl)methylidene]-4-butyl-2-fluoranyl-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-butyl-2-fluoranyl-3-methylsulfonyl-benzamide Openeye Name: 4-butyl-N-(diaminomethylene)-2-fluoro-3-methylsulfonyl-benzamide CAS Name: 4-butyl-N-(diaminomethylidene)-2-fluoro-3-methylsulfonylbenzamide IUPAC Name: 4-butyl-N-(diaminomethylidene)-2-fluoro-3-methylsulfonylbenzamide Traditional Name: 4-butyl-N-(diaminomethylene)-2-fluoro-3-mesyl-benzamide Formula: C13H18FN3O3S MolecularWeight: 315.363723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)N=C(N)N)F)S(=O)(=O)C

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)N=C(N)N)F)S(=O)(=O)C

InChI

InChI=1S/C13H18FN3O3S/c1-3-4-5-8-6-7-9(12(18)17-13(15)16)10(14)11(8)21(2,19)20/h6-7H,3-5H2,1-2H3,(H4,15,16,17,18)