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

Systemtic Name: methyl 1-[2-[(4-fluorophenyl)-(4-methoxyphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C22H25FN2O6S MolecularWeight: 464.507103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O6S/c1-30-19-7-9-20(10-8-19)32(28,29)25(18-5-3-17(23)4-6-18)15-21(26)24-13-11-16(12-14-24)22(27)31-2/h3-10,16H,11-15H2,1-2H3