[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C28H25ClN4O4S MolecularWeight: 549.0405

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=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

C1CCN(CC1)S(=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/C28H25ClN4O4S/c29-25-14-13-23(38(35,36)33-15-5-2-6-16-33)17-24(25)28(34)37-22-11-9-21(10-12-22)32-27-18-26(30-19-31-27)20-7-3-1-4-8-20/h1,3-4,7-14,17-19H,2,5-6,15-16H2,(H,30,31,32)