[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H21FN2O5S MolecularWeight: 372.411743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H21FN2O5S/c1-25(22,23)19-8-6-13(7-9-19)16(21)24-11-15(20)18-10-12-2-4-14(17)5-3-12/h2-5,13H,6-11H2,1H3,(H,18,20)