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3-(cyanomethylamino)-2-[(4-methylphenyl)sulfonylamino]propanoic acid

3-(cyanomethylamino)-2-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name:3-(cyanomethylamino)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
Openeye Name:3-(cyanomethylamino)-2-(p-tolylsulfonylamino)propanoic acid
CAS Name:3-(cyanomethylamino)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
IUPAC Name:3-(cyanomethylamino)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
Traditional Name:3-(cyanomethylamino)-2-(tosylamino)propionic acid
Formula: C12H15N3O4S
MolecularWeight: 297.3302
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CNCC#N)C(=O)O


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CNCC#N)C(=O)O


InChI

InChI=1S/C12H15N3O4S/c1-9-2-4-10(5-3-9)20(18,19)15-11(12(16)17)8-14-7-6-13/h2-5,11,14-15H,7-8H2,1H3,(H,16,17)


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