[(E,2R)-5-oxidanylidene-5-[[(1S)-1-phenylethyl]amino]pent-3-en-2-yl] methanesulfonate

Systemtic Name: [(E,2R)-5-oxidanylidene-5-[[(1S)-1-phenylethyl]amino]pent-3-en-2-yl] methanesulfonate Openeye Name: [(E,1R)-1-methyl-4-oxo-4-[[(1S)-1-phenylethyl]amino]but-2-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E,2R)-5-oxo-5-[[(1S)-1-phenylethyl]amino]pent-3-en-2-yl] ester IUPAC Name: [(E,2R)-5-oxo-5-[[(1S)-1-phenylethyl]amino]pent-3-en-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(E,1R)-4-keto-1-methyl-4-[[(1S)-1-phenylethyl]amino]but-2-enyl] ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(=O)NC(C)C1=CC=CC=C1)OS(=O)(=O)C

Isomeric SMILES

C[C@H](/C=C/C(=O)N[C@@H](C)C1=CC=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C14H19NO4S/c1-11(19-20(3,17)18)9-10-14(16)15-12(2)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,15,16)/b10-9+/t11-,12+/m1/s1