5-methyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]sulfonylethyl]isoindole-1,3-dione

Systemtic Name: 5-methyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]sulfonylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-5-methyl-isoindoline-1,3-dione CAS Name: 5-methyl-2-[2-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[2-(4-benzylpiperazino)sulfonylethyl]-5-methyl-isoindoline-1,3-quinone Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCS(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCS(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S/c1-17-7-8-19-20(15-17)22(27)25(21(19)26)13-14-30(28,29)24-11-9-23(10-12-24)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3