methyl 1-[2-[(4-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-fluoro-N-(2-thienylsulfonyl)anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-fluoro-N-(2-thienylsulfonyl)anilino]acetyl]isonipecotic acid methyl ester Formula: C19H21FN2O5S2 MolecularWeight: 440.508843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H21FN2O5S2/c1-27-19(24)14-8-10-21(11-9-14)17(23)13-22(16-6-4-15(20)5-7-16)29(25,26)18-3-2-12-28-18/h2-7,12,14H,8-11,13H2,1H3