3-[3-(aminomethyl)phenoxy]-1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one

Systemtic Name: 3-[3-(aminomethyl)phenoxy]-1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one Openeye Name: 3-[3-(aminomethyl)phenoxy]-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one CAS Name: 3-[3-(aminomethyl)phenoxy]-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-piperidinone IUPAC Name: 3-[3-(aminomethyl)phenoxy]-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one Traditional Name: 3-[3-(aminomethyl)phenoxy]-1-[2-fluoro-4-(2-mesylphenyl)phenyl]-2-piperidone Formula: C25H25FN2O4S MolecularWeight: 468.540403

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)OC4=CC=CC(=C4)CN)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)OC4=CC=CC(=C4)CN)F

InChI

InChI=1S/C25H25FN2O4S/c1-33(30,31)24-10-3-2-8-20(24)18-11-12-22(21(26)15-18)28-13-5-9-23(25(28)29)32-19-7-4-6-17(14-19)16-27/h2-4,6-8,10-12,14-15,23H,5,9,13,16,27H2,1H3