2-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoylsulfamoyl]phenyl]ethyl ester IUPAC Name: 2-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl ester Formula: C22H25N5O10S3 MolecularWeight: 615.6564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2S(=O)(=O)NS(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2S(=O)(=O)NS(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C22H25N5O10S3/c1-15-8-10-17(11-9-15)39(31,32)37-13-12-16-6-4-5-7-18(16)38(29,30)27-40(33,34)26-22(28)25-21-23-19(35-2)14-20(24-21)36-3/h4-11,14,27H,12-13H2,1-3H3,(H2,23,24,25,26,28)