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

Systemtic Name: 2-butyl-5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C22H25N3O5S2 MolecularWeight: 475.581

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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=C(S4)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)C

InChI

InChI=1S/C22H25N3O5S2/c1-3-4-9-25-21(27)17-7-6-16(14-18(17)22(25)28)20(26)23-10-12-24(13-11-23)32(29,30)19-8-5-15(2)31-19/h5-8,14H,3-4,9-13H2,1-2H3