propyl 4-[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: propyl 4-[(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: propyl 4-[[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 4-[[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(4-fluoro-3-piperidinosulfonyl-benzoyl)amino]benzoic acid propyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25FN2O5S/c1-2-14-30-22(27)16-6-9-18(10-7-16)24-21(26)17-8-11-19(23)20(15-17)31(28,29)25-12-4-3-5-13-25/h6-11,15H,2-5,12-14H2,1H3,(H,24,26)