ethyl 4-[2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[5-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-2-methyl-phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=C3CCCC4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=C3CCCC4)C

InChI

InChI=1S/C22H28N4O5S/c1-3-31-22(28)25-10-12-26(13-11-25)32(29,30)19-14-16(9-8-15(19)2)20-17-6-4-5-7-18(17)21(27)24-23-20/h8-9,14H,3-7,10-13H2,1-2H3,(H,24,27)