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sulfanium (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate

sulfanium (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name:sulfanium (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate
Openeye Name:sulfonium (2S)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoate
CAS Name:sulfonium (2S)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanoate
IUPAC Name:sulfanium (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate
Traditional Name:sulfonium (2S)-4-(methylthio)-2-(tosylamino)butyrate
Formula: C12H19NO4S3
MolecularWeight: 337.47856
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)[O-].[SH3+]


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)[O-].[SH3+]


InChI

InChI=1S/C12H17NO4S2.H2S/c1-9-3-5-10(6-4-9)19(16,17)13-11(12(14)15)7-8-18-2;/h3-6,11,13H,7-8H2,1-2H3,(H,14,15);1H2/t11-;/m0./s1


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