2-(2-methylphenyl)-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(2-methylphenyl)-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(o-tolyl)-5-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-(2-methylphenyl)-5-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]isoindole-1,3-dione IUPAC Name: 2-(2-methylphenyl)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-(o-tolyl)-5-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C24H21N3O5S2 MolecularWeight: 495.57064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H21N3O5S2/c1-16-5-2-3-6-20(16)27-23(29)18-9-8-17(15-19(18)24(27)30)22(28)25-10-12-26(13-11-25)34(31,32)21-7-4-14-33-21/h2-9,14-15H,10-13H2,1H3