[4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-(3-phthalimidopropanoylamino)phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C21H16N5O5S- MolecularWeight: 450.44724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

InChI

InChI=1S/C21H17N5O5S/c27-18(10-13-26-19(28)16-4-1-2-5-17(16)20(26)29)24-14-6-8-15(9-7-14)32(30,31)25-21-22-11-3-12-23-21/h1-9,11-12H,10,13H2,(H2,22,23,24,25,27)/p-1