3-[4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: 3-[4-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-oxidanylidene-propanoate Openeye Name: 3-[4-[4-(1,3-dioxoisoindolin-2-yl)phenyl]sulfonylpiperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-[4-(1,3-dioxo-2-isoindolyl)phenyl]sulfonyl-1-piperazinyl]-3-oxopropanoate IUPAC Name: 3-[4-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylpiperazin-1-yl]-3-oxopropanoate Traditional Name: 3-keto-3-[4-(4-phthalimidophenyl)sulfonylpiperazino]propionate Formula: C21H18N3O7S- MolecularWeight: 456.44852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C(=O)CC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O7S/c25-18(13-19(26)27)22-9-11-23(12-10-22)32(30,31)15-7-5-14(6-8-15)24-20(28)16-3-1-2-4-17(16)21(24)29/h1-8H,9-13H2,(H,26,27)/p-1