methyl (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C16H21FN2O6S MolecularWeight: 388.411143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C16H21FN2O6S/c1-25-16(22)14(10-20)18-15(21)11-6-8-19(9-7-11)26(23,24)13-4-2-12(17)3-5-13/h2-5,11,14,20H,6-10H2,1H3,(H,18,21)/t14-/m0/s1