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

Systemtic Name: ethyl 4-[5-cyano-6-[(4-methylsulfonylphenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O5S/c1-3-29-20(26)25-10-8-15(9-11-25)30-19-17(12-21)18(22-13-23-19)24-14-4-6-16(7-5-14)31(2,27)28/h4-7,13,15H,3,8-11H2,1-2H3,(H,22,23,24)