2-(2,4-dimethylphenyl)-4-[[(3-morpholin-4-ylsulfonylphenyl)amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[[(3-morpholin-4-ylsulfonylphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2,4-dimethylphenyl)-4-[(3-morpholinosulfonylanilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(2,4-dimethylphenyl)-4-[[3-(4-morpholinylsulfonyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2,4-dimethylphenyl)-4-[(3-morpholin-4-ylsulfonylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2,4-dimethylphenyl)-4-[(3-morpholinosulfonylanilino)methylene]isoquinoline-1,3-quinone Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5)C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5)C2=O)C

InChI

InChI=1S/C28H27N3O5S/c1-19-10-11-26(20(2)16-19)31-27(32)24-9-4-3-8-23(24)25(28(31)33)18-29-21-6-5-7-22(17-21)37(34,35)30-12-14-36-15-13-30/h3-11,16-18,29H,12-15H2,1-2H3