5-methyl-2-[3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione

Systemtic Name: 5-methyl-2-[3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 5-methyl-2-[3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 5-methyl-2-[3-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 5-methyl-2-[3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-keto-3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]propyl]-5-methyl-isoindoline-1,3-quinone Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)C

InChI

InChI=1S/C21H23N3O5S2/c1-14-3-5-16-17(13-14)21(27)24(20(16)26)8-7-18(25)22-9-11-23(12-10-22)31(28,29)19-6-4-15(2)30-19/h3-6,13H,7-12H2,1-2H3