2-nitro-6-(3-oxidanylidenebut-1-en-2-yl)-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 2-nitro-6-(3-oxidanylidenebut-1-en-2-yl)-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-2-(1-methylene-2-oxo-propyl)-6-nitro-benzenesulfonamide CAS Name: 2-nitro-6-(3-oxobut-1-en-2-yl)-N-propan-2-ylbenzenesulfonamide IUPAC Name: 2-nitro-6-(3-oxobut-1-en-2-yl)-N-propan-2-ylbenzenesulfonamide Traditional Name: 2-(1-acetylvinyl)-N-isopropyl-6-nitro-benzenesulfonamide Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=C(C=CC=C1[N+](=O)[O-])C(=C)C(=O)C

Isomeric SMILES

CC(C)NS(=O)(=O)C1=C(C=CC=C1[N+](=O)[O-])C(=C)C(=O)C

InChI

InChI=1S/C13H16N2O5S/c1-8(2)14-21(19,20)13-11(9(3)10(4)16)6-5-7-12(13)15(17)18/h5-8,14H,3H2,1-2,4H3