N-(2-tert-butylsulfanylethyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-3-nitro-benzenesulfonamide Openeye Name: N-(2-tert-butylsulfanylethyl)-3-nitro-benzenesulfonamide CAS Name: N-[2-(tert-butylthio)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-3-nitrobenzenesulfonamide Traditional Name: N-[2-(tert-butylthio)ethyl]-3-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)19-8-7-13-20(17,18)11-6-4-5-10(9-11)14(15)16/h4-6,9,13H,7-8H2,1-3H3