[2-oxidanylidene-2-(phenethylamino)ethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] (2S)-2-[[(E)-styryl]sulfonylamino]propanoate CAS Name: (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Traditional Name: (2S)-2-[[(E)-styryl]sulfonylamino]propionic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCCC1=CC=CC=C1)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCCC1=CC=CC=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c1-17(23-29(26,27)15-13-19-10-6-3-7-11-19)21(25)28-16-20(24)22-14-12-18-8-4-2-5-9-18/h2-11,13,15,17,23H,12,14,16H2,1H3,(H,22,24)/b15-13+/t17-/m0/s1