2-[6-morpholin-4-yl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 2-[6-morpholin-4-yl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: 2-(6-morpholino-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid 2-[6-(4-morpholinyl)-1,3-dioxo-2-benzo[de]isoquinolinyl]ethyl ester IUPAC Name: 2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid 2-(1,3-diketo-6-morpholino-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C30H31N3O7S MolecularWeight: 577.64804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCN3C(=O)C4=C5C(=C(C=C4)N6CCOCC6)C=CC=C5C3=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCN3C(=O)C4=C5C(=C(C=C4)N6CCOCC6)C=CC=C5C3=O

InChI

InChI=1S/C30H31N3O7S/c34-28-24-6-4-5-23-26(31-15-18-39-19-16-31)12-11-25(27(23)24)29(35)33(28)17-20-40-30(36)21-7-9-22(10-8-21)41(37,38)32-13-2-1-3-14-32/h4-12H,1-3,13-20H2