3-methylidene-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]isoindol-1-one

Systemtic Name: 3-methylidene-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]isoindol-1-one Openeye Name: 3-methylene-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]isoindolin-1-one CAS Name: 3-methylene-2-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1-isoindolone IUPAC Name: 3-methylidene-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]isoindol-1-one Traditional Name: 2-[2-keto-2-(4-mesylpiperazino)ethyl]-3-methylene-isoindolin-1-one Formula: C16H19N3O4S MolecularWeight: 349.40476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CN2C(=C)C3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CN2C(=C)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H19N3O4S/c1-12-13-5-3-4-6-14(13)16(21)19(12)11-15(20)17-7-9-18(10-8-17)24(2,22)23/h3-6H,1,7-11H2,2H3