N-(2-tert-butylsulfanylethyl)-1-(3-nitrophenyl)methanesulfonamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-1-(3-nitrophenyl)methanesulfonamide Openeye Name: N-(2-tert-butylsulfanylethyl)-1-(3-nitrophenyl)methanesulfonamide CAS Name: N-[2-(tert-butylthio)ethyl]-1-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-1-(3-nitrophenyl)methanesulfonamide Traditional Name: N-[2-(tert-butylthio)ethyl]-1-(3-nitrophenyl)methanesulfonamide Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNS(=O)(=O)CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SCCNS(=O)(=O)CC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O4S2/c1-13(2,3)20-8-7-14-21(18,19)10-11-5-4-6-12(9-11)15(16)17/h4-6,9,14H,7-8,10H2,1-3H3