N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[2-(dimethylsulfamoyl)benzyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1S(=O)(=O)N(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1S(=O)(=O)N(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S2/c1-13(27-16-10-8-15(9-11-16)21(23)24)18(22)19-12-14-6-4-5-7-17(14)28(25,26)20(2)3/h4-11,13H,12H2,1-3H3,(H,19,22)