2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C22H23N3O5S/c1-15-7-8-19(16(2)13-15)31(29,30)24-11-9-23(10-12-24)20(26)14-25-21(27)17-5-3-4-6-18(17)22(25)28/h3-8,13H,9-12,14H2,1-2H3