2-[(2S)-4-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[(2S)-4-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[(1S)-3-methyl-1-(4-methylsulfonylpiperazine-1-carbonyl)butyl]isoindolin-1-one CAS Name: 2-[(2S)-4-methyl-1-(4-methylsulfonyl-1-piperazinyl)-1-oxopentan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[(2S)-4-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[(1S)-1-(4-mesylpiperazine-1-carbonyl)-3-methyl-butyl]isoindolin-1-one Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)S(=O)(=O)C)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H27N3O4S/c1-14(2)12-17(22-13-15-6-4-5-7-16(15)18(22)23)19(24)20-8-10-21(11-9-20)27(3,25)26/h4-7,14,17H,8-13H2,1-3H3/t17-/m0/s1