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

Systemtic Name: 2-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-3-keto-propyl]isoindoline-1,3-quinone Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C23H25N3O5S/c1-16-7-8-18(15-17(16)2)32(30,31)25-13-11-24(12-14-25)21(27)9-10-26-22(28)19-5-3-4-6-20(19)23(26)29/h3-8,15H,9-14H2,1-2H3