[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 3-[[(E)-styryl]sulfonylamino]propanoate CAS Name: 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Traditional Name: 3-[[(E)-styryl]sulfonylamino]propionic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C=CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C21H23NO5S/c1-16-8-9-19(17(2)14-16)20(23)15-27-21(24)10-12-22-28(25,26)13-11-18-6-4-3-5-7-18/h3-9,11,13-14,22H,10,12,15H2,1-2H3/b13-11+