methyl 1-[4-[2-(3-fluorophenyl)ethanoylamino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-[2-(3-fluorophenyl)ethanoylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-[[2-(3-fluorophenyl)acetyl]amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[2-(3-fluorophenyl)-1-oxoethyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[2-(3-fluorophenyl)acetyl]amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[[2-(3-fluorophenyl)acetyl]amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN2O5S/c1-29-21(26)16-5-3-11-24(14-16)30(27,28)19-9-7-18(8-10-19)23-20(25)13-15-4-2-6-17(22)12-15/h2,4,6-10,12,16H,3,5,11,13-14H2,1H3,(H,23,25)