2-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[3-methylsulfonyl-1-[4-(m-tolylmethyl)piperazine-1-carbonyl]propyl]isoindoline-1,3-dione CAS Name: 2-[1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-4-methylsulfonyl-1-oxobutan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]isoindole-1,3-dione Traditional Name: 2-[3-mesyl-1-[4-(3-methylbenzyl)piperazine-1-carbonyl]propyl]isoindoline-1,3-quinone Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C(CCS(=O)(=O)C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C(CCS(=O)(=O)C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H29N3O5S/c1-18-6-5-7-19(16-18)17-26-11-13-27(14-12-26)25(31)22(10-15-34(2,32)33)28-23(29)20-8-3-4-9-21(20)24(28)30/h3-9,16,22H,10-15,17H2,1-2H3