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

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-benzhydrylpiperazino)sulfonylphenyl]isoindoline-1,3-quinone Formula: C31H27N3O4S MolecularWeight: 537.62878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C31H27N3O4S/c35-30-27-13-7-8-14-28(27)31(36)34(30)25-15-17-26(18-16-25)39(37,38)33-21-19-32(20-22-33)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18,29H,19-22H2