4-[5-morpholin-4-ylsulfonyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid

Systemtic Name: 4-[5-morpholin-4-ylsulfonyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid Openeye Name: 4-(5-morpholinosulfonyl-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanoic acid CAS Name: 4-[5-(4-morpholinylsulfonyl)-1,3-dioxo-2-benzo[de]isoquinolinyl]butanoic acid IUPAC Name: 4-(5-morpholin-4-ylsulfonyl-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid Traditional Name: 4-(1,3-diketo-5-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=CC3=C4C(=C2)C=CC=C4C(=O)N(C3=O)CCCC(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C4C(=C2)C=CC=C4C(=O)N(C3=O)CCCC(=O)O

InChI

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