4-(3,4-dimethoxyphenyl)-2-(1-ethenylsulfonylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(1-ethenylsulfonylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(1-vinylsulfonyl-4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-(1-ethenylsulfonyl-4-piperidinyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(1-ethenylsulfonylpiperidin-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(1-vinylsulfonyl-4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)S(=O)(=O)C=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)S(=O)(=O)C=C)OC

InChI

InChI=1S/C23H29N3O5S/c1-4-32(28,29)25-13-11-17(12-14-25)26-23(27)19-8-6-5-7-18(19)22(24-26)16-9-10-20(30-2)21(15-16)31-3/h4-6,9-10,15,17-19H,1,7-8,11-14H2,2-3H3