(2S)-2-[(4-ethanoylphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(4-ethanoylphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoate IUPAC Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]-3-methyl-butyrate Formula: C13H16NO5S- MolecularWeight: 298.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)C(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C13H17NO5S/c1-8(2)12(13(16)17)14-20(18,19)11-6-4-10(5-7-11)9(3)15/h4-8,12,14H,1-3H3,(H,16,17)/p-1/t12-/m0/s1