[4-bromanyl-2-[(E)-[2-(phenylsulfonylamino)ethanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-bromanyl-2-[(E)-[2-(phenylsulfonylamino)ethanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [2-[(E)-[[2-(benzenesulfonamido)acetyl]hydrazono]methyl]-4-bromo-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[(E)-[[2-(benzenesulfonamido)-1-oxoethyl]hydrazinylidene]methyl]-4-bromophenyl] ester IUPAC Name: [2-[(E)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-4-bromophenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[(E)-[[2-(benzenesulfonamido)acetyl]hydrazono]methyl]-4-bromo-phenyl] ester Formula: C23H20BrN3O5S MolecularWeight: 530.391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)CNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)CNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20BrN3O5S/c1-16-6-5-7-17(12-16)23(29)32-21-11-10-19(24)13-18(21)14-25-27-22(28)15-26-33(30,31)20-8-3-2-4-9-20/h2-14,26H,15H2,1H3,(H,27,28)/b25-14+