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

Systemtic Name: 2-[1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-methyl-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-1-methyl-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]ethyl]isoindoline-1,3-quinone Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N3O5S2/c1-13-7-8-17(29-13)30(27,28)22-11-9-21(10-12-22)18(24)14(2)23-19(25)15-5-3-4-6-16(15)20(23)26/h3-8,14H,9-12H2,1-2H3