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

Systemtic Name: N-[[2-(methylsulfonylamino)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[[2-(methanesulfonamido)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[[2-(methanesulfonamido)phenyl]methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[[2-(methanesulfonamido)phenyl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[2-(methanesulfonamido)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=C1NS(=O)(=O)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1NS(=O)(=O)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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