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

Systemtic Name: 3-[6-morpholin-4-yl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: 3-(6-morpholino-1,3-dioxo-benzo[de]isoquinolin-2-yl)propyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid 3-[6-(4-morpholinyl)-1,3-dioxo-2-benzo[de]isoquinolinyl]propyl ester IUPAC Name: 3-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid 3-(1,3-diketo-6-morpholino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C31H33N3O7S MolecularWeight: 591.67462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCN3C(=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)OCCCN3C(=O)C4=C5C(=C(C=C4)N6CCOCC6)C=CC=C5C3=O

InChI

InChI=1S/C31H33N3O7S/c35-29-25-7-4-6-24-27(32-17-20-40-21-18-32)13-12-26(28(24)25)30(36)34(29)16-5-19-41-31(37)22-8-10-23(11-9-22)42(38,39)33-14-2-1-3-15-33/h4,6-13H,1-3,5,14-21H2