[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCC2=CC=C(C=C2)F)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H22FN3O5S/c21-17-5-3-15(4-6-17)12-23-19(25)14-29-20(26)16-7-10-24(11-8-16)30(27,28)18-2-1-9-22-13-18/h1-6,9,13,16H,7-8,10-12,14H2,(H,23,25)