4-(3,4-diethoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-(1-methylsulfonyl-4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-(1-methylsulfonyl-4-piperidinyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-(1-methylsulfonylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-(1-mesyl-4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C24H33N3O5S MolecularWeight: 475.60092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)S(=O)(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)S(=O)(=O)C)OCC

InChI

InChI=1S/C24H33N3O5S/c1-4-31-21-11-10-17(16-22(21)32-5-2)23-19-8-6-7-9-20(19)24(28)27(25-23)18-12-14-26(15-13-18)33(3,29)30/h6-7,10-11,16,18-20H,4-5,8-9,12-15H2,1-3H3