2-[(4-methoxyphenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-[(4-methoxyphenyl)methyl]-5-(4-methylsulfonylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 2-[(4-methoxyphenyl)methyl]-5-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methoxyphenyl)methyl]-5-(4-methylsulfonylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 5-(4-mesylpiperazine-1-carbonyl)-2-p-anisyl-isoindoline-1,3-quinone Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H23N3O6S/c1-31-17-6-3-15(4-7-17)14-25-21(27)18-8-5-16(13-19(18)22(25)28)20(26)23-9-11-24(12-10-23)32(2,29)30/h3-8,13H,9-12,14H2,1-2H3