2-[4-[1-(3-chloranyl-4-methylsulfonyl-phenyl)piperidin-4-yl]piperidin-1-yl]-5-fluoranyl-pyrimidine

Systemtic Name: 2-[4-[1-(3-chloranyl-4-methylsulfonyl-phenyl)piperidin-4-yl]piperidin-1-yl]-5-fluoranyl-pyrimidine Openeye Name: 2-[4-[1-(3-chloro-4-methylsulfonyl-phenyl)-4-piperidyl]-1-piperidyl]-5-fluoro-pyrimidine CAS Name: 2-[4-[1-(3-chloro-4-methylsulfonylphenyl)-4-piperidinyl]-1-piperidinyl]-5-fluoropyrimidine IUPAC Name: 2-[4-[1-(3-chloro-4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-5-fluoropyrimidine Traditional Name: 2-[4-[1-(3-chloro-4-mesyl-phenyl)-4-piperidyl]piperidino]-5-fluoro-pyrimidine Formula: C21H26ClFN4O2S MolecularWeight: 452.973143

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)N2CCC(CC2)C3CCN(CC3)C4=NC=C(C=N4)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)N2CCC(CC2)C3CCN(CC3)C4=NC=C(C=N4)F)Cl

InChI

InChI=1S/C21H26ClFN4O2S/c1-30(28,29)20-3-2-18(12-19(20)22)26-8-4-15(5-9-26)16-6-10-27(11-7-16)21-24-13-17(23)14-25-21/h2-3,12-16H,4-11H2,1H3