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

Systemtic Name: tert-butyl 4-[[2-fluoranyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-fluoro-4-[(4-methylsulfonylpiperazin-1-yl)methyl]anilino]piperidine-1-carboxylate CAS Name: 4-[2-fluoro-4-[(4-methylsulfonyl-1-piperazinyl)methyl]anilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-fluoro-4-[(4-methylsulfonylpiperazin-1-yl)methyl]anilino]piperidine-1-carboxylate Traditional Name: 4-[2-fluoro-4-[(4-mesylpiperazino)methyl]anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H35FN4O4S MolecularWeight: 470.601103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)F

InChI

InChI=1S/C22H35FN4O4S/c1-22(2,3)31-21(28)26-9-7-18(8-10-26)24-20-6-5-17(15-19(20)23)16-25-11-13-27(14-12-25)32(4,29)30/h5-6,15,18,24H,7-14,16H2,1-4H3