4-(2-chloranyl-6-nitro-phenoxy)-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide

Systemtic Name: 4-(2-chloranyl-6-nitro-phenoxy)-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide Openeye Name: 4-(2-chloro-6-nitro-phenoxy)-N-(1,1-dimethylprop-2-ynyl)benzenesulfonamide CAS Name: 4-(2-chloro-6-nitrophenoxy)-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide IUPAC Name: 4-(2-chloro-6-nitrophenoxy)-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide Traditional Name: 4-(2-chloro-6-nitro-phenoxy)-N-(1,1-dimethylprop-2-ynyl)benzenesulfonamide Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#C)NS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O5S/c1-4-17(2,3)19-26(23,24)13-10-8-12(9-11-13)25-16-14(18)6-5-7-15(16)20(21)22/h1,5-11,19H,2-3H3