2-[4-[4-[3-(3-oxidanylphenoxy)propanoyl]piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-[3-(3-oxidanylphenoxy)propanoyl]piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazin-1-yl]sulfonylphenyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-[3-(3-hydroxyphenoxy)-1-oxopropyl]-1-piperazinyl]sulfonyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[3-(3-hydroxyphenoxy)propanoyl]piperazino]sulfonylphenyl]isoindoline-1,3-quinone Formula: C27H25N3O7S MolecularWeight: 535.5683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCOC2=CC=CC(=C2)O)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C(=O)CCOC2=CC=CC(=C2)O)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H25N3O7S/c31-20-4-3-5-21(18-20)37-17-12-25(32)28-13-15-29(16-14-28)38(35,36)22-10-8-19(9-11-22)30-26(33)23-6-1-2-7-24(23)27(30)34/h1-11,18,31H,12-17H2