(2,5-dimethylphenyl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (2,5-dimethylphenyl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (2,5-dimethylphenyl)methyl (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid (2,5-dimethylbenzyl) ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C(C(C)C)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25NO4S/c1-14(2)19(21-26(23,24)18-8-6-5-7-9-18)20(22)25-13-17-12-15(3)10-11-16(17)4/h5-12,14,19,21H,13H2,1-4H3/t19-/m0/s1