[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-[[(E)-styryl]sulfonylamino]propanoate CAS Name: 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Traditional Name: 3-[[(E)-styryl]sulfonylamino]propionic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCNS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H25NO5S/c1-3-18-9-11-20(12-10-18)22(25)17(2)28-21(24)13-15-23-29(26,27)16-14-19-7-5-4-6-8-19/h4-12,14,16-17,23H,3,13,15H2,1-2H3/b16-14+/t17-/m0/s1