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

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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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)N4CCCCC4)Cl

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C23H23ClN4O4S/c1-16-13-22(26-15-25-16)27-17-5-7-18(8-6-17)32-23(29)20-14-19(9-10-21(20)24)33(30,31)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,25,26,27)