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

Systemtic Name: tert-butyl 4-[[[5-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4S/c1-22(2,3)30-21(27)26-11-9-16(10-12-26)13-23-20-24-14-18(15-25-20)17-5-7-19(8-6-17)31(4,28)29/h5-8,14-16H,9-13H2,1-4H3,(H,23,24,25)