3-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid

Systemtic Name: 3-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid Openeye Name: 3-[2-(p-tolylsulfonylamino)thiazol-4-yl]propanoic acid CAS Name: 3-[2-[(4-methylphenyl)sulfonylamino]-4-thiazolyl]propanoic acid IUPAC Name: 3-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanoic acid Traditional Name: 3-[2-(tosylamino)thiazol-4-yl]propionic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)CCC(=O)O

InChI

InChI=1S/C13H14N2O4S2/c1-9-2-5-11(6-3-9)21(18,19)15-13-14-10(8-20-13)4-7-12(16)17/h2-3,5-6,8H,4,7H2,1H3,(H,14,15)(H,16,17)