2-(4-ethoxyphenyl)-4-[[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(4-ethoxyphenyl)-4-[[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(4-ethoxyphenyl)-4-[(4-methyl-3-morpholinosulfonyl-anilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(4-ethoxyphenyl)-4-[[4-methyl-3-(4-morpholinylsulfonyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(4-ethoxyphenyl)-4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 4-[(4-methyl-3-morpholinosulfonyl-anilino)methylene]-2-p-phenetyl-isoquinoline-1,3-quinone Formula: C29H29N3O6S MolecularWeight: 547.62206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CC(=C(C=C4)C)S(=O)(=O)N5CCOCC5)C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CC(=C(C=C4)C)S(=O)(=O)N5CCOCC5)C2=O

InChI

InChI=1S/C29H29N3O6S/c1-3-38-23-12-10-22(11-13-23)32-28(33)25-7-5-4-6-24(25)26(29(32)34)19-30-21-9-8-20(2)27(18-21)39(35,36)31-14-16-37-17-15-31/h4-13,18-19,30H,3,14-17H2,1-2H3