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

Systemtic Name: 3-azanyl-3-[2-[(4-chlorophenyl)sulfonylamino]pyrimidin-5-yl]propanoic acid Openeye Name: 3-amino-3-[2-[(4-chlorophenyl)sulfonylamino]pyrimidin-5-yl]propanoic acid CAS Name: 3-amino-3-[2-[(4-chlorophenyl)sulfonylamino]-5-pyrimidinyl]propanoic acid IUPAC Name: 3-amino-3-[2-[(4-chlorophenyl)sulfonylamino]pyrimidin-5-yl]propanoic acid Traditional Name: 3-amino-3-[2-[(4-chlorophenyl)sulfonylamino]pyrimidin-5-yl]propionic acid Formula: C13H13ClN4O4S MolecularWeight: 356.78472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NC2=NC=C(C=N2)C(CC(=O)O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NC2=NC=C(C=N2)C(CC(=O)O)N)Cl

InChI

InChI=1S/C13H13ClN4O4S/c14-9-1-3-10(4-2-9)23(21,22)18-13-16-6-8(7-17-13)11(15)5-12(19)20/h1-4,6-7,11H,5,15H2,(H,19,20)(H,16,17,18)