ethyl 1-[(Z)-N-(4-fluorophenyl)sulfonyl-C-phenyl-carbonimidoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(Z)-N-(4-fluorophenyl)sulfonyl-C-phenyl-carbonimidoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(Z)-N-(4-fluorophenyl)sulfonyl-C-phenyl-carbonimidoyl]piperidine-4-carboxylate CAS Name: 1-[(Z)-(4-fluorophenyl)sulfonylimino-phenylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(Z)-N-(4-fluorophenyl)sulfonyl-C-phenylcarbonimidoyl]piperidine-4-carboxylate Traditional Name: 1-[(Z)-N-(4-fluorophenyl)sulfonyl-C-phenyl-carbonimidoyl]isonipecotic acid ethyl ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=NS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)/C(=N\S(=O)(=O)C2=CC=C(C=C2)F)/C3=CC=CC=C3

InChI

InChI=1S/C21H23FN2O4S/c1-2-28-21(25)17-12-14-24(15-13-17)20(16-6-4-3-5-7-16)23-29(26,27)19-10-8-18(22)9-11-19/h3-11,17H,2,12-15H2,1H3/b23-20-