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

Systemtic Name: 2-[1-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-(4-methylpiperazine-1-carbonyl)-3-methylsulfonyl-propyl]isoindolin-1-one CAS Name: 2-[1-(4-methyl-1-piperazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[3-mesyl-1-(4-methylpiperazine-1-carbonyl)propyl]isoindolin-1-one Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(CCS(=O)(=O)C)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CN1CCN(CC1)C(=O)C(CCS(=O)(=O)C)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H25N3O4S/c1-19-8-10-20(11-9-19)18(23)16(7-12-26(2,24)25)21-13-14-5-3-4-6-15(14)17(21)22/h3-6,16H,7-13H2,1-2H3