2-(N-(Carbamimidoylcarbamoyl)sulfamoyl)-N,N-dimethylnicotinamide
Catalog: |
BB070653 |
Product Name: |
2-(N-(Carbamimidoylcarbamoyl)sulfamoyl)-N,N-dimethylnicotinamide |
Synonyms: |
Nicosulfuron-TP AUSN; 2-(N-(carbamimidoylcarbamoyl)sulfamoyl)-N,N-dimethylnicotinamide; 2-(diaminomethylidenecarbamoylsulamoyl)-N,N-dimethylpyridine-3-carboxamide; 2-[(carbamimidoylcarbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide |
IUPAC Name: | 2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide |
Molecular Weight: | 314.32 |
Molecular Formula: | C10H14N6O4S |
Canonical SMILES: | CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)N=C(N)N |
InChI: | InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18) |
InChI Key: | JIZXOFJDALMBAQ-UHFFFAOYSA-N |
Complexity: | 534 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 314.07972412 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 314.07972412 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 169Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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