[1-azanyl-1-oxidanylidene-3-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]butan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-azanyl-1-oxidanylidene-3-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-carbamoyl-2-[4-(1-oxoisoindolin-2-yl)phenyl]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-amino-1-oxo-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butan-2-yl] ester IUPAC Name: [1-amino-1-oxo-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-carbamoyl-2-[4-(1-ketoisoindolin-2-yl)phenyl]propyl] ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C(C)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O)C(=O)N

InChI

InChI=1S/C25H24N2O5S/c1-16-7-13-21(14-8-16)33(30,31)32-23(24(26)28)17(2)18-9-11-20(12-10-18)27-15-19-5-3-4-6-22(19)25(27)29/h3-14,17,23H,15H2,1-2H3,(H2,26,28)