N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)-1,3-bis(oxidanylidene)-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-6-carboxamide

Systemtic Name: N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)-1,3-bis(oxidanylidene)-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-6-carboxamide Openeye Name: N-(2-morpholino-5-morpholinosulfonyl-phenyl)-1,3-dioxo-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-6-carboxamide CAS Name: N-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]-1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-6-benzo[de]isoquinolinecarboxamide IUPAC Name: N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-1,3-dioxo-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-6-carboxamide Traditional Name: 1,3-diketo-N-(2-morpholino-5-morpholinosulfonyl-phenyl)-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-6-carboxamide Formula: C34H29F3N4O7S MolecularWeight: 694.67687

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=C5C=CC=C6C5=C(C=C4)C(=O)N(C6=O)C7=CC=CC(=C7)C(F)(F)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=C5C=CC=C6C5=C(C=C4)C(=O)N(C6=O)C7=CC=CC(=C7)C(F)(F)F

InChI

InChI=1S/C34H29F3N4O7S/c35-34(36,37)21-3-1-4-22(19-21)41-32(43)26-6-2-5-24-25(8-9-27(30(24)26)33(41)44)31(42)38-28-20-23(49(45,46)40-13-17-48-18-14-40)7-10-29(28)39-11-15-47-16-12-39/h1-10,19-20H,11-18H2,(H,38,42)