N-(1-butylsulfanylpropan-2-yl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(1-butylsulfanylpropan-2-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(2-butylsulfanyl-1-methyl-ethyl)-4-nitro-benzenesulfonamide CAS Name: N-[1-(butylthio)propan-2-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-(1-butylsulfanylpropan-2-yl)-4-nitrobenzenesulfonamide Traditional Name: N-[2-(butylthio)-1-methyl-ethyl]-4-nitro-benzenesulfonamide Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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