methyl 3-[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]propanoate

Systemtic Name: methyl 3-[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]propanoate Openeye Name: methyl 3-[[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]amino]propanoate CAS Name: 3-[[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoate Traditional Name: 3-[(4-fluoro-3-piperidinosulfonyl-benzoyl)amino]propionic acid methyl ester Formula: C16H21FN2O5S MolecularWeight: 372.411743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C16H21FN2O5S/c1-24-15(20)7-8-18-16(21)12-5-6-13(17)14(11-12)25(22,23)19-9-3-2-4-10-19/h5-6,11H,2-4,7-10H2,1H3,(H,18,21)