[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] 5-chloro-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-methylsulfonyl-4-pyrimidinecarboxylic acid [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-mesyl-pyrimidine-4-carboxylic acid [2-[cyclohexyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H23ClFN3O5S MolecularWeight: 483.940823

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C3CCCCC3)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C3CCCCC3)Cl

InChI

InChI=1S/C21H23ClFN3O5S/c1-32(29,30)21-24-11-17(22)19(25-21)20(28)31-13-18(27)26(16-5-3-2-4-6-16)12-14-7-9-15(23)10-8-14/h7-11,16H,2-6,12-13H2,1H3