2-(4-morpholin-4-ylsulfonylphenyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(4-morpholin-4-ylsulfonylphenyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-morpholinosulfonylphenyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-(4-morpholinylsulfonyl)phenyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(4-morpholin-4-ylsulfonylphenyl)-5,8-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(4-morpholinosulfonylphenyl)-5,8-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C22H16N4O9S MolecularWeight: 512.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC(=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC(=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O9S/c27-21-18-11-15(25(29)30)9-13-10-16(26(31)32)12-19(20(13)18)22(28)24(21)14-1-3-17(4-2-14)36(33,34)23-5-7-35-8-6-23/h1-4,9-12H,5-8H2