(4E)-2-(4-morpholin-4-ylsulfonylphenyl)-4-[(oxolan-2-ylmethylamino)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-2-(4-morpholin-4-ylsulfonylphenyl)-4-[(oxolan-2-ylmethylamino)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-2-(4-morpholinosulfonylphenyl)-4-[(tetrahydrofuran-2-ylmethylamino)methylene]isoquinoline-1,3-dione CAS Name: (4E)-2-[4-(4-morpholinylsulfonyl)phenyl]-4-[(2-oxolanylmethylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-(4-morpholin-4-ylsulfonylphenyl)-4-[(oxolan-2-ylmethylamino)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-2-(4-morpholinosulfonylphenyl)-4-[(tetrahydrofurfurylamino)methylene]isoquinoline-1,3-quinone Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CC(OC1)CN/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H27N3O6S/c29-24-22-6-2-1-5-21(22)23(17-26-16-19-4-3-13-34-19)25(30)28(24)18-7-9-20(10-8-18)35(31,32)27-11-14-33-15-12-27/h1-2,5-10,17,19,26H,3-4,11-16H2/b23-17+