N-[bis(azanyl)methylidene]-2-bromanyl-4-butan-2-yl-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-bromanyl-4-butan-2-yl-3-methylsulfonyl-benzamide Openeye Name: 2-bromo-N-(diaminomethylene)-3-methylsulfonyl-4-sec-butyl-benzamide CAS Name: 2-bromo-4-butan-2-yl-N-(diaminomethylidene)-3-methylsulfonylbenzamide IUPAC Name: 2-bromo-4-butan-2-yl-N-(diaminomethylidene)-3-methylsulfonylbenzamide Traditional Name: 2-bromo-N-(diaminomethylene)-3-mesyl-4-sec-butyl-benzamide Formula: C13H18BrN3O3S MolecularWeight: 376.26932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C(=C(C=C1)C(=O)N=C(N)N)Br)S(=O)(=O)C

Isomeric SMILES

CCC(C)C1=C(C(=C(C=C1)C(=O)N=C(N)N)Br)S(=O)(=O)C

InChI

InChI=1S/C13H18BrN3O3S/c1-4-7(2)8-5-6-9(12(18)17-13(15)16)10(14)11(8)21(3,19)20/h5-7H,4H2,1-3H3,(H4,15,16,17,18)