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

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C27H23ClN4O5S MolecularWeight: 551.01332

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CC=C(C=C3)NC4=NC=NC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CC=C(C=C3)NC4=NC=NC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23ClN4O5S/c28-24-11-10-22(38(34,35)32-12-14-36-15-13-32)16-23(24)27(33)37-21-8-6-20(7-9-21)31-26-17-25(29-18-30-26)19-4-2-1-3-5-19/h1-11,16-18H,12-15H2,(H,29,30,31)