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

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: 4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanoate IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(tosylamino)butyrate Formula: C12H16NO4S2- MolecularWeight: 302.38974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S2/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)/p-1