4-(3,4-diethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-(4-morpholinosulfonylphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-[4-(4-morpholinylsulfonyl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-(4-morpholinosulfonylphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C28H33N3O6S MolecularWeight: 539.64312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)OCC

InChI

InChI=1S/C28H33N3O6S/c1-3-36-25-14-9-20(19-26(25)37-4-2)27-23-7-5-6-8-24(23)28(32)31(29-27)21-10-12-22(13-11-21)38(33,34)30-15-17-35-18-16-30/h5-6,9-14,19,23-24H,3-4,7-8,15-18H2,1-2H3