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

Systemtic Name: propan-2-yl 4-[[[5-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-15(2)29-21(26)25-10-8-16(9-11-25)12-22-20-23-13-18(14-24-20)17-4-6-19(7-5-17)30(3,27)28/h4-7,13-16H,8-12H2,1-3H3,(H,22,23,24)