2-[2-[4-(phenylmethyl)piperazin-1-yl]sulfonylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(phenylmethyl)piperazin-1-yl]sulfonylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-benzylpiperazino)sulfonylethyl]isoindoline-1,3-quinone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N3O4S/c25-20-18-8-4-5-9-19(18)21(26)24(20)14-15-29(27,28)23-12-10-22(11-13-23)16-17-6-2-1-3-7-17/h1-9H,10-16H2