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

Systemtic Name: 2-[1-(4-ethylpiperazin-1-yl)-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-(4-ethylpiperazine-1-carbonyl)-3-methylsulfonyl-propyl]isoindolin-1-one CAS Name: 2-[1-(4-ethyl-1-piperazinyl)-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-(4-ethylpiperazin-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[1-(4-ethylpiperazine-1-carbonyl)-3-mesyl-propyl]isoindolin-1-one Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(CCS(=O)(=O)C)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(CCS(=O)(=O)C)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H27N3O4S/c1-3-20-9-11-21(12-10-20)19(24)17(8-13-27(2,25)26)22-14-15-6-4-5-7-16(15)18(22)23/h4-7,17H,3,8-14H2,1-2H3