methyl (2R)-4-[[5-(dimethylsulfamoyl)-2-oxidanylidene-pyridin-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[[5-(dimethylsulfamoyl)-2-oxidanylidene-pyridin-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridyl]methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[[5-(dimethylsulfamoyl)-2-oxopyridin-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[[5-(dimethylsulfamoyl)-2-keto-1-pyridyl]methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C14H22N3O5S2+ MolecularWeight: 376.47158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CN(C(=O)C=C1)C[NH+]2CCSC(C2)C(=O)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CN(C(=O)C=C1)C[NH+]2CCS[C@H](C2)C(=O)OC

InChI

InChI=1S/C14H21N3O5S2/c1-15(2)24(20,21)11-4-5-13(18)17(8-11)10-16-6-7-23-12(9-16)14(19)22-3/h4-5,8,12H,6-7,9-10H2,1-3H3/p+1/t12-/m1/s1