4-(3,4-diethoxyphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-[1-(p-tolylsulfonyl)-4-piperidyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-(1-tosyl-4-piperidyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C30H37N3O5S MolecularWeight: 551.69688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C)OCC

InChI

InChI=1S/C30H37N3O5S/c1-4-37-27-15-12-22(20-28(27)38-5-2)29-25-8-6-7-9-26(25)30(34)33(31-29)23-16-18-32(19-17-23)39(35,36)24-13-10-21(3)11-14-24/h6-7,10-15,20,23,25-26H,4-5,8-9,16-19H2,1-3H3