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

Systemtic Name: 2-[4-[4-[3-(4-oxidanylphenoxy)propanoyl]piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[3-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]sulfonylphenyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-[3-(4-hydroxyphenoxy)-1-oxopropyl]-1-piperazinyl]sulfonyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[3-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[3-(4-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=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

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

InChI

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