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

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-nitro-benzenesulfonamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2-nitro-benzenesulfonamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2-nitrobenzenesulfonamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2-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=CC=C1[N+](=O)[O-]

Isomeric SMILES

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

InChI

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