2-butyl-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-butyl-isoindoline-1,3-dione CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-butylisoindole-1,3-dione IUPAC Name: 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-butylisoindole-1,3-dione Traditional Name: 5-(4-besylpiperazine-1-carbonyl)-2-butyl-isoindoline-1,3-quinone Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O5S/c1-2-3-11-26-22(28)19-10-9-17(16-20(19)23(26)29)21(27)24-12-14-25(15-13-24)32(30,31)18-7-5-4-6-8-18/h4-10,16H,2-3,11-15H2,1H3