4-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-(4-p-phenetylsulfonylpiperazino)ethyl]-2H-phthalazin-1-one Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N4O5S/c1-2-31-16-7-9-17(10-8-16)32(29,30)26-13-11-25(12-14-26)21(27)15-20-18-5-3-4-6-19(18)22(28)24-23-20/h3-10H,2,11-15H2,1H3,(H,24,28)