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

Systemtic Name: 2-(2-chlorophenyl)-4-[[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2-chlorophenyl)-4-[(4-methyl-3-morpholinosulfonyl-anilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(2-chlorophenyl)-4-[[4-methyl-3-(4-morpholinylsulfonyl)anilino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2-chlorophenyl)-4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2-chlorophenyl)-4-[(4-methyl-3-morpholinosulfonyl-anilino)methylene]isoquinoline-1,3-quinone Formula: C27H24ClN3O5S MolecularWeight: 538.01456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4Cl)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4Cl)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H24ClN3O5S/c1-18-10-11-19(16-25(18)37(34,35)30-12-14-36-15-13-30)29-17-22-20-6-2-3-7-21(20)26(32)31(27(22)33)24-9-5-4-8-23(24)28/h2-11,16-17,29H,12-15H2,1H3