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

Systemtic Name: 5-(4-methylsulfonylpiperazin-1-yl)carbonyl-2-phenethyl-isoindole-1,3-dione Openeye Name: 5-(4-methylsulfonylpiperazine-1-carbonyl)-2-phenethyl-isoindoline-1,3-dione CAS Name: 5-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-2-phenethylisoindole-1,3-dione IUPAC Name: 5-(4-methylsulfonylpiperazine-1-carbonyl)-2-phenethylisoindole-1,3-dione Traditional Name: 5-(4-mesylpiperazine-1-carbonyl)-2-phenethyl-isoindoline-1,3-quinone Formula: C22H23N3O5S MolecularWeight: 441.50012

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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)CCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O5S/c1-31(29,30)24-13-11-23(12-14-24)20(26)17-7-8-18-19(15-17)22(28)25(21(18)27)10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3