phenyl 4-[2-(bromanylsulfonylamino)-5-ethyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(bromanylsulfonylamino)-5-ethyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(bromosulfonylamino)-5-ethyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(bromosulfonylamino)-5-ethylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(bromosulfonylamino)-5-ethylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(bromosulfonylamino)-5-ethyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C18H22BrN3O5S2 MolecularWeight: 504.41838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)Br)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)Br)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H22BrN3O5S2/c1-2-14-8-9-16(21-29(19,25)26)17(12-14)22-11-10-20-18(13-22)28(23,24)27-15-6-4-3-5-7-15/h3-9,12,18,20-21H,2,10-11,13H2,1H3