4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-(2-morpholin-4-ylsulfonylphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-(2-morpholin-4-ylsulfonylphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-2-(2-morpholinosulfonylphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(7-methoxy-2,2-dimethyl-3H-benzofuran-4-yl)-2-[2-(4-morpholinylsulfonyl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-yl)-2-(2-morpholin-4-ylsulfonylphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(7-methoxy-2,2-dimethyl-coumaran-4-yl)-2-(2-morpholinosulfonylphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C29H33N3O6S MolecularWeight: 551.65382

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5=CC=CC=C5S(=O)(=O)N6CCOCC6)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2O1)OC)C3=NN(C(=O)C4C3CC=CC4)C5=CC=CC=C5S(=O)(=O)N6CCOCC6)C

InChI

InChI=1S/C29H33N3O6S/c1-29(2)18-22-20(12-13-24(36-3)27(22)38-29)26-19-8-4-5-9-21(19)28(33)32(30-26)23-10-6-7-11-25(23)39(34,35)31-14-16-37-17-15-31/h4-7,10-13,19,21H,8-9,14-18H2,1-3H3