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

Systemtic Name: (phenylmethyl) 4-[[[5-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N=C2)NCC3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N=C2)NCC3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4S/c1-34(31,32)23-9-7-21(8-10-23)22-16-27-24(28-17-22)26-15-19-11-13-29(14-12-19)25(30)33-18-20-5-3-2-4-6-20/h2-10,16-17,19H,11-15,18H2,1H3,(H,26,27,28)