[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C28H25ClN4O5S2 MolecularWeight: 597.1049

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN4O5S2/c1-39-28-31-25(19-6-3-2-4-7-19)18-26(32-28)30-20-8-5-9-21(16-20)38-27(34)23-17-22(10-11-24(23)29)40(35,36)33-12-14-37-15-13-33/h2-11,16-18H,12-15H2,1H3,(H,30,31,32)