methyl (3S)-3-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CC(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H22ClFN2O5S/c1-11(9-16(22)26-2)20-17(23)12-5-7-21(8-6-12)27(24,25)13-3-4-15(19)14(18)10-13/h3-4,10-12H,5-9H2,1-2H3,(H,20,23)/t11-/m0/s1