N-[bis(azanyl)methylidene]-2-bromanyl-5-methylsulfonyl-4-pentan-3-yl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-bromanyl-5-methylsulfonyl-4-pentan-3-yl-benzamide Openeye Name: 2-bromo-N-(diaminomethylene)-4-(1-ethylpropyl)-5-methylsulfonyl-benzamide CAS Name: 2-bromo-N-(diaminomethylidene)-5-methylsulfonyl-4-pentan-3-ylbenzamide IUPAC Name: 2-bromo-N-(diaminomethylidene)-5-methylsulfonyl-4-pentan-3-ylbenzamide Traditional Name: 2-bromo-N-(diaminomethylene)-4-(1-ethylpropyl)-5-mesyl-benzamide Formula: C14H20BrN3O3S MolecularWeight: 390.2959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrN3O3S/c1-4-8(5-2)9-6-11(15)10(13(19)18-14(16)17)7-12(9)22(3,20)21/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)