methyl 4-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]butanoate

Systemtic Name: methyl 4-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]butanoate Openeye Name: methyl 4-[[4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]amino]butanoate CAS Name: 4-[[2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]butanoate Traditional Name: 4-[[4-(methylthio)-2-(tosylamino)butanoyl]amino]butyric acid methyl ester Formula: C17H26N2O5S2 MolecularWeight: 402.52874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5S2/c1-13-6-8-14(9-7-13)26(22,23)19-15(10-12-25-3)17(21)18-11-4-5-16(20)24-2/h6-9,15,19H,4-5,10-12H2,1-3H3,(H,18,21)