bis[(4-methylphenyl)sulfonylcarbamoylamino] [[[(4-methylphenyl)sulfonylcarbamoylamino]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] phosphate

Systemtic Name: bis[(4-methylphenyl)sulfonylcarbamoylamino] [[[(4-methylphenyl)sulfonylcarbamoylamino]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] phosphate Openeye Name: [hydroxy-[hydroxy-(p-tolylsulfonylcarbamoylamino)oxy-phosphoryl]oxy-phosphoryl] bis(p-tolylsulfonylcarbamoylamino) phosphate CAS Name: phosphoric acid [hydroxy-[hydroxy-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]oxyphosphoryl]oxyphosphoryl] bis[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino] ester IUPAC Name: [hydroxy-[hydroxy-[(4-methylphenyl)sulfonylcarbamoylamino]oxyphosphoryl]oxyphosphoryl] bis[(4-methylphenyl)sulfonylcarbamoylamino] phosphate Traditional Name: phosphoric acid [hydroxy-[hydroxy-(tosylcarbamoylamino)oxy-phosphoryl]oxy-phosphoryl] bis(tosylcarbamoylamino) ester Formula: C24H29N6O19P3S3 MolecularWeight: 894.632143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NOP(=O)(O)OP(=O)(O)OP(=O)(ONC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)ONC(=O)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NOP(=O)(O)OP(=O)(O)OP(=O)(ONC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)ONC(=O)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H29N6O19P3S3/c1-16-4-10-19(11-5-16)53(39,40)28-22(31)25-45-50(34,35)48-51(36,37)49-52(38,46-26-23(32)29-54(41,42)20-12-6-17(2)7-13-20)47-27-24(33)30-55(43,44)21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H,34,35)(H,36,37)(H2,25,28,31)(H2,26,29,32)(H2,27,30,33)