methyl 2-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methyl-propanoate CAS Name: 2-[[[1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoate Traditional Name: 2-[[1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotoyl]amino]-2-methyl-propionic acid methyl ester Formula: C17H22ClFN2O5S MolecularWeight: 420.883383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H22ClFN2O5S/c1-17(2,16(23)26-3)20-15(22)11-6-8-21(9-7-11)27(24,25)12-4-5-14(19)13(18)10-12/h4-5,10-11H,6-9H2,1-3H3,(H,20,22)