N-[bis(azanyl)methylidene]-2-butyl-4-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-butyl-4-methyl-5-methylsulfonyl-benzamide Openeye Name: 2-butyl-N-(diaminomethylene)-4-methyl-5-methylsulfonyl-benzamide CAS Name: 2-butyl-N-(diaminomethylidene)-4-methyl-5-methylsulfonylbenzamide IUPAC Name: 2-butyl-N-(diaminomethylidene)-4-methyl-5-methylsulfonylbenzamide Traditional Name: 2-butyl-N-(diaminomethylene)-5-mesyl-4-methyl-benzamide Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)C

InChI

InChI=1S/C14H21N3O3S/c1-4-5-6-10-7-9(2)12(21(3,19)20)8-11(10)13(18)17-14(15)16/h7-8H,4-6H2,1-3H3,(H4,15,16,17,18)