chloranylsulfanium; 2-[[2-(2-methoxy-5-sulfamoyl-phenyl)-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: chloranylsulfanium; 2-[[2-(2-methoxy-5-sulfamoyl-phenyl)-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-butanoate Openeye Name: chlorosulfonium; 2-[[2-(2-methoxy-5-sulfamoyl-phenyl)-2-oxo-ethyl]amino]-4-methylsulfanyl-butanoate CAS Name: chlorosulfonium; 2-[[2-(2-methoxy-5-sulfamoylphenyl)-2-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: chlorosulfanium; 2-[[2-(2-methoxy-5-sulfamoylphenyl)-2-oxoethyl]amino]-4-methylsulfanylbutanoate Traditional Name: chlorosulfonium; 2-[[2-keto-2-(2-methoxy-5-sulfamoyl-phenyl)ethyl]amino]-4-(methylthio)butyrate Formula: C14H21ClN2O6S3 MolecularWeight: 444.97434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)CNC(CCSC)C(=O)[O-].[SH2+]Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)CNC(CCSC)C(=O)[O-].[SH2+]Cl

InChI

InChI=1S/C14H20N2O6S2.ClHS/c1-22-13-4-3-9(24(15,20)21)7-10(13)12(17)8-16-11(14(18)19)5-6-23-2;1-2/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,18,19)(H2,15,20,21);2H