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

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C28H25ClN4O5S MolecularWeight: 565.0399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN4O5S/c1-19-30-26(20-5-3-2-4-6-20)18-27(31-19)32-21-7-9-22(10-8-21)38-28(34)24-17-23(11-12-25(24)29)39(35,36)33-13-15-37-16-14-33/h2-12,17-18H,13-16H2,1H3,(H,30,31,32)