2-(phenylmethyl)-5-(4-phenylpiperazin-1-yl)sulfonyl-isoindole-1,3-dione

Systemtic Name: 2-(phenylmethyl)-5-(4-phenylpiperazin-1-yl)sulfonyl-isoindole-1,3-dione Openeye Name: 2-benzyl-5-(4-phenylpiperazin-1-yl)sulfonyl-isoindoline-1,3-dione CAS Name: 2-(phenylmethyl)-5-[(4-phenyl-1-piperazinyl)sulfonyl]isoindole-1,3-dione IUPAC Name: 2-benzyl-5-(4-phenylpiperazin-1-yl)sulfonylisoindole-1,3-dione Traditional Name: 2-benzyl-5-(4-phenylpiperazino)sulfonyl-isoindoline-1,3-quinone Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O4S/c29-24-22-12-11-21(17-23(22)25(30)28(24)18-19-7-3-1-4-8-19)33(31,32)27-15-13-26(14-16-27)20-9-5-2-6-10-20/h1-12,17H,13-16,18H2