4-methoxy-3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide

Systemtic Name: 4-methoxy-3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide Openeye Name: N-(2-allylsulfanylphenyl)-4-methoxy-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-3-nitro-N-[2-(prop-2-enylthio)phenyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide Traditional Name: N-[2-(allylthio)phenyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC=C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC=C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S2/c1-3-10-24-16-7-5-4-6-13(16)17-25(21,22)12-8-9-15(23-2)14(11-12)18(19)20/h3-9,11,17H,1,10H2,2H3