propyl 4-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotoyl]amino]benzoic acid propyl ester Formula: C22H24ClFN2O5S MolecularWeight: 482.952763

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H24ClFN2O5S/c1-2-13-31-22(28)16-3-5-17(6-4-16)25-21(27)15-9-11-26(12-10-15)32(29,30)18-7-8-20(24)19(23)14-18/h3-8,14-15H,2,9-13H2,1H3,(H,25,27)