4-methyl-N-[4-nitro-2-(3-oxidanylideneprop-1-ynyl)phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-nitro-2-(3-oxidanylideneprop-1-ynyl)phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[4-nitro-2-(3-oxoprop-1-ynyl)phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[4-nitro-2-(3-oxoprop-1-ynyl)phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[4-nitro-2-(3-oxoprop-1-ynyl)phenyl]benzenesulfonamide Traditional Name: N-[2-(3-ketoprop-1-ynyl)-4-nitro-phenyl]-4-methyl-benzenesulfonamide Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#CC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#CC=O

InChI

InChI=1S/C16H12N2O5S/c1-12-4-7-15(8-5-12)24(22,23)17-16-9-6-14(18(20)21)11-13(16)3-2-10-19/h4-11,17H,1H3