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

Systemtic Name: 4-methyl-3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide Openeye Name: N-(2-allylsulfanylphenyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[2-(prop-2-enylthio)phenyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide Traditional Name: N-[2-(allylthio)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC=C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4S2/c1-3-10-23-16-7-5-4-6-14(16)17-24(21,22)13-9-8-12(2)15(11-13)18(19)20/h3-9,11,17H,1,10H2,2H3