[(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid [(1S)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OC(C)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25NO6S/c1-14-5-6-15(2)19(13-14)29(25,26)22-12-11-20(23)28-16(3)21(24)17-7-9-18(27-4)10-8-17/h5-10,13,16,22H,11-12H2,1-4H3/t16-/m0/s1