2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(2,4-dioxo-1H-pyrimidin-5-yl)-[2-(p-tolylsulfonyloxy)ethyl]amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(2,4-dioxo-1H-pyrimidin-5-yl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl ester IUPAC Name: 2-[(2,4-dioxo-1H-pyrimidin-5-yl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(2,4-diketo-1H-pyrimidin-5-yl)-(2-tosyloxyethyl)amino]ethyl ester Formula: C22H25N3O8S2 MolecularWeight: 523.5792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CNC(=O)NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CNC(=O)NC3=O

InChI

InChI=1S/C22H25N3O8S2/c1-16-3-7-18(8-4-16)34(28,29)32-13-11-25(20-15-23-22(27)24-21(20)26)12-14-33-35(30,31)19-9-5-17(2)6-10-19/h3-10,15H,11-14H2,1-2H3,(H2,23,24,26,27)