N-[bis(azanyl)methylidene]-4-butylsulfonyl-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-butylsulfonyl-3-methylsulfonyl-benzamide Openeye Name: 4-butylsulfonyl-N-(diaminomethylene)-3-methylsulfonyl-benzamide CAS Name: 4-butylsulfonyl-N-(diaminomethylidene)-3-methylsulfonylbenzamide IUPAC Name: 4-butylsulfonyl-N-(diaminomethylidene)-3-methylsulfonylbenzamide Traditional Name: 4-butylsulfonyl-N-(diaminomethylene)-3-mesyl-benzamide Formula: C13H19N3O5S2 MolecularWeight: 361.43706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C

Isomeric SMILES

CCCCS(=O)(=O)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C

InChI

InChI=1S/C13H19N3O5S2/c1-3-4-7-23(20,21)10-6-5-9(12(17)16-13(14)15)8-11(10)22(2,18)19/h5-6,8H,3-4,7H2,1-2H3,(H4,14,15,16,17)