2-[[(2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]-4-(methylthio)butanoyl]amino]ethyl-dimethyl-ammonium Formula: C15H24ClFN3O3S2+ MolecularWeight: 412.950763

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C(CCSC)NS(=O)(=O)C1=CC(=C(C=C1)F)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)[C@H](CCSC)NS(=O)(=O)C1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C15H23ClFN3O3S2/c1-20(2)8-7-18-15(21)14(6-9-24-3)19-25(22,23)11-4-5-13(17)12(16)10-11/h4-5,10,14,19H,6-9H2,1-3H3,(H,18,21)/p+1/t14-/m0/s1