N-(2-tert-butylsulfanylethyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCSC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCSC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O4S2/c1-10-5-6-11(9-12(10)15(16)17)21(18,19)14-7-8-20-13(2,3)4/h5-6,9,14H,7-8H2,1-4H3