2-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-methylsulfonyl-propyl]isoindolin-1-one CAS Name: 2-[1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-mesyl-propyl]isoindolin-1-one Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C(CCS(=O)(=O)C)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C(CCS(=O)(=O)C)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H31N3O4S/c1-18-8-9-19(2)23(16-18)26-11-13-27(14-12-26)25(30)22(10-15-33(3,31)32)28-17-20-6-4-5-7-21(20)24(28)29/h4-9,16,22H,10-15,17H2,1-3H3