propan-2-yl 4-[5-cyano-6-[(4-methylsulfonylphenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[5-cyano-6-[(4-methylsulfonylphenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[5-cyano-6-(4-methylsulfonylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[5-cyano-6-(4-methylsulfonylanilino)-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[5-cyano-6-(4-methylsulfonylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[5-cyano-6-(4-mesylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid isopropyl ester Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2C#N)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2C#N)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N5O5S/c1-14(2)30-21(27)26-10-8-16(9-11-26)31-20-18(12-22)19(23-13-24-20)25-15-4-6-17(7-5-15)32(3,28)29/h4-7,13-14,16H,8-11H2,1-3H3,(H,23,24,25)