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

Systemtic Name: methyl (2S)-3-oxidanyl-2-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[1-[(E)-styryl]sulfonylpiperidine-4-carbonyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[oxo-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[1-[(E)-styryl]sulfonylisonipecotoyl]amino]propionic acid methyl ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6S/c1-26-18(23)16(13-21)19-17(22)15-7-10-20(11-8-15)27(24,25)12-9-14-5-3-2-4-6-14/h2-6,9,12,15-16,21H,7-8,10-11,13H2,1H3,(H,19,22)/b12-9+/t16-/m0/s1