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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-piperidin-1-yl-benzo[de]isoquinolin-2-yl]propyl 4-morpholin-4-ylsulfonylbenzoate Openeye Name: 3-[1,3-dioxo-6-(1-piperidyl)benzo[de]isoquinolin-2-yl]propyl 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid 3-[1,3-dioxo-6-(1-piperidinyl)-2-benzo[de]isoquinolinyl]propyl ester IUPAC Name: 3-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)propyl 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid 3-(1,3-diketo-6-piperidino-benzo[de]isoquinolin-2-yl)propyl ester Formula: C31H33N3O7S MolecularWeight: 591.67462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCOC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6

Isomeric SMILES

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCOC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C31H33N3O7S/c35-29-25-7-4-6-24-27(32-14-2-1-3-15-32)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)33-17-20-40-21-18-33/h4,6-13H,1-3,5,14-21H2