2-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoylsulfamoyl]phenyl]ethyl ester IUPAC Name: 2-[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-[(4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl ester Formula: C21H24N6O9S3 MolecularWeight: 600.64506

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(=NC(=N3)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O9S3/c1-14-8-10-17(11-9-14)38(31,32)36-13-12-16-6-4-5-7-18(16)37(29,30)27-39(33,34)26-20(28)24-19-22-15(2)23-21(25-19)35-3/h4-11,27H,12-13H2,1-3H3,(H2,22,23,24,25,26,28)