4-[6-morpholin-4-ylsulfonyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid

Systemtic Name: 4-[6-morpholin-4-ylsulfonyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid Openeye Name: 4-(6-morpholinosulfonyl-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanoic acid CAS Name: 4-[6-(4-morpholinylsulfonyl)-1,3-dioxo-2-benzo[de]isoquinolinyl]butanoic acid IUPAC Name: 4-(6-morpholin-4-ylsulfonyl-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid Traditional Name: 4-(1,3-diketo-6-morpholinosulfonyl-benzo[de]isoquinolin-2-yl)butyric acid Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCC(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCC(=O)O

InChI

InChI=1S/C20H20N2O7S/c23-17(24)5-2-8-22-19(25)14-4-1-3-13-16(7-6-15(18(13)14)20(22)26)30(27,28)21-9-11-29-12-10-21/h1,3-4,6-7H,2,5,8-12H2,(H,23,24)