methyl 2-[4-[1-(3-fluoranyl-4-methoxy-phenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[1-(3-fluoranyl-4-methoxy-phenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[1-(3-fluoro-4-methoxy-phenyl)ethylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[1-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[1-(3-fluoro-4-methoxy-phenyl)ethylcarbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C23H27FN2O6S MolecularWeight: 478.533683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H27FN2O6S/c1-15(17-8-9-20(31-2)19(24)14-17)25-22(27)16-10-12-26(13-11-16)33(29,30)21-7-5-4-6-18(21)23(28)32-3/h4-9,14-16H,10-13H2,1-3H3,(H,25,27)