2-[2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-[[[(4-methoxy-6-methyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoylsulfamoyl]phenyl]ethyl ester IUPAC Name: 2-[2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoylsulfamoyl]phenyl]ethyl ester Formula: C22H25N5O9S3 MolecularWeight: 599.657

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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)C

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)C

InChI

InChI=1S/C22H25N5O9S3/c1-15-8-10-18(11-9-15)38(31,32)36-13-12-17-6-4-5-7-19(17)37(29,30)27-39(33,34)26-22(28)25-21-23-16(2)14-20(24-21)35-3/h4-11,14,27H,12-13H2,1-3H3,(H2,23,24,25,26,28)