2-(4-morpholin-4-ylsulfonylphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(4-morpholin-4-ylsulfonylphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-morpholinosulfonylphenyl)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-(4-morpholinylsulfonyl)phenyl]-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(4-morpholin-4-ylsulfonylphenyl)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(4-morpholinosulfonylphenyl)-6,7-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=C5C(=CC=C(C5=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C3=O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=C5C(=CC=C(C5=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C3=O

InChI

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