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

Systemtic Name: ethyl 1-[2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[5-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-2-methyl-phenyl]sulfonylisonipecotic acid ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=C3CCCC4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NNC(=O)C4=C3CCCC4)C

InChI

InChI=1S/C23H29N3O5S/c1-3-31-23(28)16-10-12-26(13-11-16)32(29,30)20-14-17(9-8-15(20)2)21-18-6-4-5-7-19(18)22(27)25-24-21/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,25,27)