[3-[6-methyl-1,3-bis(oxidanylidene)-4-propoxy-isoindol-5-yl]oxyphenyl] 2-(pyridin-4-ylmethylsulfamoyl)benzenesulfonate

Systemtic Name: [3-[6-methyl-1,3-bis(oxidanylidene)-4-propoxy-isoindol-5-yl]oxyphenyl] 2-(pyridin-4-ylmethylsulfamoyl)benzenesulfonate Openeye Name: [3-(6-methyl-1,3-dioxo-4-propoxy-isoindolin-5-yl)oxyphenyl] 2-(4-pyridylmethylsulfamoyl)benzenesulfonate CAS Name: 2-(pyridin-4-ylmethylsulfamoyl)benzenesulfonic acid [3-[(6-methyl-1,3-dioxo-4-propoxy-5-isoindolyl)oxy]phenyl] ester IUPAC Name: [3-(6-methyl-1,3-dioxo-4-propoxyisoindol-5-yl)oxyphenyl] 2-(pyridin-4-ylmethylsulfamoyl)benzenesulfonate Traditional Name: 2-(4-pyridylmethylsulfamoyl)benzenesulfonic acid [3-(1,3-diketo-6-methyl-4-propoxy-isoindolin-5-yl)oxyphenyl] ester Formula: C30H27N3O9S2 MolecularWeight: 637.68008

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=CC(=C1OC3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4S(=O)(=O)NCC5=CC=NC=C5)C)C(=O)NC2=O

Isomeric SMILES

CCCOC1=C2C(=CC(=C1OC3=CC(=CC=C3)OS(=O)(=O)C4=CC=CC=C4S(=O)(=O)NCC5=CC=NC=C5)C)C(=O)NC2=O

InChI

InChI=1S/C30H27N3O9S2/c1-3-15-40-28-26-23(29(34)33-30(26)35)16-19(2)27(28)41-21-7-6-8-22(17-21)42-44(38,39)25-10-5-4-9-24(25)43(36,37)32-18-20-11-13-31-14-12-20/h4-14,16-17,32H,3,15,18H2,1-2H3,(H,33,34,35)