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

Systemtic Name: 2-methyl-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-methyl-5-[4-(2-nitrophenyl)sulfonylpiperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-methyl-5-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-methyl-5-[4-(2-nitrophenyl)sulfonylpiperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-methyl-5-[4-(2-nitrophenyl)sulfonylpiperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C20H18N4O7S MolecularWeight: 458.44452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O7S/c1-21-19(26)14-7-6-13(12-15(14)20(21)27)18(25)22-8-10-23(11-9-22)32(30,31)17-5-3-2-4-16(17)24(28)29/h2-7,12H,8-11H2,1H3