ethyl 1-[2-[(4-fluorophenyl)carbonylamino]ethylsulfonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(4-fluorophenyl)carbonylamino]ethylsulfonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(4-fluorobenzoyl)amino]ethylsulfonyl]piperidine-3-carboxylate CAS Name: 1-[2-[[(4-fluorophenyl)-oxomethyl]amino]ethylsulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-fluorobenzoyl)amino]ethylsulfonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(4-fluorobenzoyl)amino]ethylsulfonyl]nipecotic acid ethyl ester Formula: C17H23FN2O5S MolecularWeight: 386.438323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H23FN2O5S/c1-2-25-17(22)14-4-3-10-20(12-14)26(23,24)11-9-19-16(21)13-5-7-15(18)8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,19,21)