3-azanyl-3-[2-[(4-methylphenyl)sulfonylamino]pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-azanyl-3-[2-[(4-methylphenyl)sulfonylamino]pyrimidin-5-yl]propanoic acid Openeye Name: 3-amino-3-[2-(p-tolylsulfonylamino)pyrimidin-5-yl]propanoic acid CAS Name: 3-amino-3-[2-[(4-methylphenyl)sulfonylamino]-5-pyrimidinyl]propanoic acid IUPAC Name: 3-amino-3-[2-[(4-methylphenyl)sulfonylamino]pyrimidin-5-yl]propanoic acid Traditional Name: 3-amino-3-[2-(tosylamino)pyrimidin-5-yl]propionic acid Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)C(CC(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)C(CC(=O)O)N

InChI

InChI=1S/C14H16N4O4S/c1-9-2-4-11(5-3-9)23(21,22)18-14-16-7-10(8-17-14)12(15)6-13(19)20/h2-5,7-8,12H,6,15H2,1H3,(H,19,20)(H,16,17,18)