tert-butyl 4-[4-[[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]methyl]phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[(2-fluoranyl-4-methylsulfonyl-phenyl)amino]methyl]phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-fluoro-4-methylsulfonyl-anilino)methyl]phenyl]piperidine-1-carboxylate CAS Name: 4-[4-[(2-fluoro-4-methylsulfonylanilino)methyl]phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-fluoro-4-methylsulfonylanilino)methyl]phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-[(2-fluoro-4-mesyl-anilino)methyl]phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H31FN2O4S MolecularWeight: 462.577343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)CNC3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C24H31FN2O4S/c1-24(2,3)31-23(28)27-13-11-19(12-14-27)18-7-5-17(6-8-18)16-26-22-10-9-20(15-21(22)25)32(4,29)30/h5-10,15,19,26H,11-14,16H2,1-4H3