5-[[4-[4-[cyanomethylsulfonyl(methyl)amino]phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-[[4-[4-[cyanomethylsulfonyl(methyl)amino]phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[[4-[4-[cyanomethylsulfonyl(methyl)amino]phenyl]pyrimidin-2-yl]amino]-2-morpholino-benzoic acid CAS Name: 5-[[4-[4-[cyanomethylsulfonyl(methyl)amino]phenyl]-2-pyrimidinyl]amino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[[4-[4-[cyanomethylsulfonyl(methyl)amino]phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[[4-[4-[cyanomethylsulfonyl(methyl)amino]phenyl]pyrimidin-2-yl]amino]-2-morpholino-benzoic acid Formula: C24H24N6O5S MolecularWeight: 508.54956

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)O)S(=O)(=O)CC#N

Isomeric SMILES

CN(C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)O)S(=O)(=O)CC#N

InChI

InChI=1S/C24H24N6O5S/c1-29(36(33,34)15-9-25)19-5-2-17(3-6-19)21-8-10-26-24(28-21)27-18-4-7-22(20(16-18)23(31)32)30-11-13-35-14-12-30/h2-8,10,16H,11-15H2,1H3,(H,31,32)(H,26,27,28)