2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[(E)-styryl]sulfonylpiperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-[(E)-styryl]sulfonylpiperazino]methyl]isoindoline-1,3-quinone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c25-20-18-8-4-5-9-19(18)21(26)24(20)16-22-11-13-23(14-12-22)29(27,28)15-10-17-6-2-1-3-7-17/h1-10,15H,11-14,16H2/b15-10+