5-(4-methylsulfonylpiperazin-1-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(4-methylsulfonylpiperazin-1-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 2-benzyl-5-(4-methylsulfonylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 5-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-(4-methylsulfonylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-benzyl-5-(4-mesylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S/c1-30(28,29)23-11-9-22(10-12-23)19(25)16-7-8-17-18(13-16)21(27)24(20(17)26)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3