methyl 2-[4-[2-(4-fluorophenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[2-(4-fluorophenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-(4-fluorophenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[2-(4-fluorophenyl)ethylcarbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O5S/c1-30-22(27)19-4-2-3-5-20(19)31(28,29)25-14-11-17(12-15-25)21(26)24-13-10-16-6-8-18(23)9-7-16/h2-9,17H,10-15H2,1H3,(H,24,26)