ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-fluorophenyl)sulfonylnipecotoyl]amino]benzoic acid ethyl ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O5S/c1-2-29-21(26)15-5-9-18(10-6-15)23-20(25)16-4-3-13-24(14-16)30(27,28)19-11-7-17(22)8-12-19/h5-12,16H,2-4,13-14H2,1H3,(H,23,25)