2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-(p-tolylsulfonylcarbamoylamino)butanoic acid CAS Name: 2-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(tosylcarbamoylamino)butyric acid Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H18N2O5S2/c1-9-3-5-10(6-4-9)22(19,20)15-13(18)14-11(12(16)17)7-8-21-2/h3-6,11H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)