N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[[3-(methylsulfamoyl)phenyl]methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[3-(methylsulfamoyl)benzyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=CC=C1)S(=O)(=O)NC)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC(=CC=C1)S(=O)(=O)NC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S2/c1-12(26-15-8-6-14(7-9-15)20(22)23)17(21)19-11-13-4-3-5-16(10-13)27(24,25)18-2/h3-10,12,18H,11H2,1-2H3,(H,19,21)