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

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)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-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C29H27ClN4O4S MolecularWeight: 563.06708

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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)N4CCCCC4)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)N4CCCCC4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H27ClN4O4S/c1-20-31-27(21-8-4-2-5-9-21)19-28(32-20)33-22-10-12-23(13-11-22)38-29(35)25-18-24(14-15-26(25)30)39(36,37)34-16-6-3-7-17-34/h2,4-5,8-15,18-19H,3,6-7,16-17H2,1H3,(H,31,32,33)