2-(3-morpholin-4-ylsulfonylphenyl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(3-morpholin-4-ylsulfonylphenyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(3-morpholinosulfonylphenyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-[3-(4-morpholinylsulfonyl)phenyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-(3-morpholin-4-ylsulfonylphenyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(3-morpholinosulfonylphenyl)-4-nitro-isoindoline-1,3-quinone Formula: C18H15N3O7S MolecularWeight: 417.3926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O7S/c22-17-14-5-2-6-15(21(24)25)16(14)18(23)20(17)12-3-1-4-13(11-12)29(26,27)19-7-9-28-10-8-19/h1-6,11H,7-10H2