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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N3O5S2/c1-15-8-9-19(30-15)31(28,29)23-13-11-22(12-14-23)18(25)7-4-10-24-20(26)16-5-2-3-6-17(16)21(24)27/h2-3,5-6,8-9H,4,7,10-14H2,1H3