N-(3-ethylpent-1-yn-3-yl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-nitro-benzenesulfonamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-nitrobenzenesulfonamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-nitro-benzenesulfonamide Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-4-13(5-2,6-3)14-20(18,19)12-10-8-7-9-11(12)15(16)17/h1,7-10,14H,5-6H2,2-3H3