[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-[(3-chloro-4-fluoro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)sulfonylamino]propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C16H22ClFN2O5S MolecularWeight: 408.872683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C16H22ClFN2O5S/c1-3-11(4-2)20-15(21)10-25-16(22)7-8-19-26(23,24)12-5-6-14(18)13(17)9-12/h5-6,9,11,19H,3-4,7-8,10H2,1-2H3,(H,20,21)