2-[[5-[methyl-(4-methylphenyl)sulfonyl-amino]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-[methyl-(4-methylphenyl)sulfonyl-amino]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-[methyl(p-tolylsulfonyl)amino]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[5-[methyl-(4-methylphenyl)sulfonylamino]-4-pyrimidinyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-[methyl-(4-methylphenyl)sulfonylamino]pyrimidin-4-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[5-[methyl(tosyl)amino]pyrimidin-4-yl]amino]-3-phenyl-propionic acid Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CN=CN=C2NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CN=CN=C2NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N4O4S/c1-15-8-10-17(11-9-15)30(28,29)25(2)19-13-22-14-23-20(19)24-18(21(26)27)12-16-6-4-3-5-7-16/h3-11,13-14,18H,12H2,1-2H3,(H,26,27)(H,22,23,24)