ethyl 4-[[[5-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[[5-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[[5-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[5-(4-methylsulfonylphenyl)-2-pyrimidinyl]amino]methyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[5-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[5-(4-mesylphenyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid ethyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)CNC2=NC=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)CNC2=NC=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H26N4O4S/c1-3-28-20(25)24-10-8-15(9-11-24)12-21-19-22-13-17(14-23-19)16-4-6-18(7-5-16)29(2,26)27/h4-7,13-15H,3,8-12H2,1-2H3,(H,21,22,23)