[4-bromanyl-2-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-bromanyl-2-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-bromo-2-[(E)-(p-tolylsulfonylhydrazono)methyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-bromo-2-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-bromo-2-[(E)-(tosylhydrazono)methyl]phenyl] ester Formula: C20H16BrN3O7S2 MolecularWeight: 554.39094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC(=C2)Br)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C=CC(=C2)Br)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16BrN3O7S2/c1-14-2-7-18(8-3-14)32(27,28)23-22-13-15-12-16(21)4-11-20(15)31-33(29,30)19-9-5-17(6-10-19)24(25)26/h2-13,23H,1H3/b22-13+