methyl (2S)-2-[2-[(4-chlorophenyl)sulfonylamino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-[(4-chlorophenyl)sulfonylamino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[(4-chlorophenyl)sulfonylamino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C14H19ClN2O5S2 MolecularWeight: 394.89406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H19ClN2O5S2/c1-22-14(19)12(7-8-23-2)17-13(18)9-16-24(20,21)11-5-3-10(15)4-6-11/h3-6,12,16H,7-9H2,1-2H3,(H,17,18)/t12-/m0/s1