methyl 1-[2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C22H25FN2O5S2 MolecularWeight: 480.572703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O5S2/c1-30-22(27)16-10-12-24(13-11-16)21(26)15-25(18-5-3-4-17(23)14-18)32(28,29)20-8-6-19(31-2)7-9-20/h3-9,14,16H,10-13,15H2,1-2H3