phenyl 2-bromanyl-4-(1-formamido-3-oxidanylidene-propyl)-3-(phenylsulfonyl)benzenesulfonate

Systemtic Name: phenyl 2-bromanyl-4-(1-formamido-3-oxidanylidene-propyl)-3-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 3-(benzenesulfonyl)-2-bromo-4-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 3-(benzenesulfonyl)-2-bromo-4-(1-formamido-3-oxopropyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(benzenesulfonyl)-2-bromo-4-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 3-besyl-2-bromo-4-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C22H18BrNO7S2 MolecularWeight: 552.41482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C(=C(C=C2)C(CC=O)NC=O)S(=O)(=O)C3=CC=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C(=C(C=C2)C(CC=O)NC=O)S(=O)(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C22H18BrNO7S2/c23-21-20(33(29,30)31-16-7-3-1-4-8-16)12-11-18(19(13-14-25)24-15-26)22(21)32(27,28)17-9-5-2-6-10-17/h1-12,14-15,19H,13H2,(H,24,26)