(2S)-2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoate

Systemtic Name: (2S)-2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoate Openeye Name: (2S)-2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)propanoate CAS Name: (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoate IUPAC Name: (2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoate Traditional Name: (2S)-2-(5-chloro-N-mesyl-2-methyl-anilino)propionate Formula: C11H13ClNO4S- MolecularWeight: 290.74322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(C(C)C(=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N([C@@H](C)C(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C11H14ClNO4S/c1-7-4-5-9(12)6-10(7)13(18(3,16)17)8(2)11(14)15/h4-6,8H,1-3H3,(H,14,15)/p-1/t8-/m0/s1