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

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C22H21ClN4O5S MolecularWeight: 488.94394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O5S/c1-15-12-21(25-14-24-15)26-16-2-4-17(5-3-16)32-22(28)19-13-18(6-7-20(19)23)33(29,30)27-8-10-31-11-9-27/h2-7,12-14H,8-11H2,1H3,(H,24,25,26)