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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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