N-(2,2-diethoxyethyl)-4-nitro-N-(4-oxidanylidene-4-phenyl-but-2-ynyl)benzenesulfonamide

Systemtic Name: N-(2,2-diethoxyethyl)-4-nitro-N-(4-oxidanylidene-4-phenyl-but-2-ynyl)benzenesulfonamide Openeye Name: N-(2,2-diethoxyethyl)-4-nitro-N-(4-oxo-4-phenyl-but-2-ynyl)benzenesulfonamide CAS Name: N-(2,2-diethoxyethyl)-4-nitro-N-(4-oxo-4-phenylbut-2-ynyl)benzenesulfonamide IUPAC Name: N-(2,2-diethoxyethyl)-4-nitro-N-(4-oxo-4-phenylbut-2-ynyl)benzenesulfonamide Traditional Name: N-(2,2-diethoxyethyl)-N-(4-keto-4-phenyl-but-2-ynyl)-4-nitro-benzenesulfonamide Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CC#CC(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CN(CC#CC(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H24N2O7S/c1-3-30-22(31-4-2)17-23(16-8-11-21(25)18-9-6-5-7-10-18)32(28,29)20-14-12-19(13-15-20)24(26)27/h5-7,9-10,12-15,22H,3-4,16-17H2,1-2H3