2-[4-methylsulfonyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[4-methylsulfonyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[3-methylsulfonyl-1-(4-phenylpiperazine-1-carbonyl)propyl]isoindolin-1-one CAS Name: 2-[4-methylsulfonyl-1-oxo-1-(4-phenyl-1-piperazinyl)butan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[4-methylsulfonyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[3-mesyl-1-(4-phenylpiperazine-1-carbonyl)propyl]isoindolin-1-one Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H27N3O4S/c1-31(29,30)16-11-21(26-17-18-7-5-6-10-20(18)22(26)27)23(28)25-14-12-24(13-15-25)19-8-3-2-4-9-19/h2-10,21H,11-17H2,1H3