N-[bis(azanyl)methylidene]-2-chloranyl-5-methylsulfonyl-3-(1-oxidanylpropan-2-yl)benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-chloranyl-5-methylsulfonyl-3-(1-oxidanylpropan-2-yl)benzamide Openeye Name: 2-chloro-N-(diaminomethylene)-3-(2-hydroxy-1-methyl-ethyl)-5-methylsulfonyl-benzamide CAS Name: 2-chloro-N-(diaminomethylidene)-3-(1-hydroxypropan-2-yl)-5-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-(diaminomethylidene)-3-(1-hydroxypropan-2-yl)-5-methylsulfonylbenzamide Traditional Name: 2-chloro-N-(diaminomethylene)-3-(2-hydroxy-1-methyl-ethyl)-5-mesyl-benzamide Formula: C12H16ClN3O4S MolecularWeight: 333.79114

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1=C(C(=CC(=C1)S(=O)(=O)C)C(=O)N=C(N)N)Cl

Isomeric SMILES

CC(CO)C1=C(C(=CC(=C1)S(=O)(=O)C)C(=O)N=C(N)N)Cl

InChI

InChI=1S/C12H16ClN3O4S/c1-6(5-17)8-3-7(21(2,19)20)4-9(10(8)13)11(18)16-12(14)15/h3-4,6,17H,5H2,1-2H3,(H4,14,15,16,18)