3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[[2-(methylsulfonylamino)phenyl]methyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[[2-(methylsulfonylamino)phenyl]methyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[[2-(methanesulfonamido)phenyl]methyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[[2-(methanesulfonamido)phenyl]methyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[[2-(methanesulfonamido)phenyl]methyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[2-(methanesulfonamido)benzyl]propionamide Formula: C13H19N3O4S2 MolecularWeight: 345.43766

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1CNC(=O)CCSCC(=O)N

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1CNC(=O)CCSCC(=O)N

InChI

InChI=1S/C13H19N3O4S2/c1-22(19,20)16-11-5-3-2-4-10(11)8-15-13(18)6-7-21-9-12(14)17/h2-5,16H,6-9H2,1H3,(H2,14,17)(H,15,18)