N-(2-tert-butylsulfanylethyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-nitro-benzenesulfonamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-nitro-benzenesulfonamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-nitrobenzenesulfonamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-nitro-benzenesulfonamide Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S2/c1-12(2,3)19-9-8-13-20(17,18)11-6-4-10(5-7-11)14(15)16/h4-7,13H,8-9H2,1-3H3