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

Systemtic Name: 2-[4-methylsulfonyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[3-methylsulfonyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]isoindolin-1-one CAS Name: 2-[4-methylsulfonyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[4-methylsulfonyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[3-mesyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]isoindolin-1-one Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H26N4O6S/c1-34(32,33)15-10-21(26-16-17-4-2-3-5-20(17)22(26)28)23(29)25-13-11-24(12-14-25)18-6-8-19(9-7-18)27(30)31/h2-9,21H,10-16H2,1H3