N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-phthalazin-1-yloxy-ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-phthalazin-1-yloxy-ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-phthalazin-1-yloxy-acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(1-phthalazinyloxy)acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-phthalazin-1-yloxyacetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-phthalazin-1-yloxy-acetamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=NN=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=NN=CC4=CC=CC=C43

InChI

InChI=1S/C21H21ClN4O4S/c22-18-9-8-16(31(28,29)26-10-4-1-5-11-26)12-19(18)24-20(27)14-30-21-17-7-3-2-6-15(17)13-23-25-21/h2-3,6-9,12-13H,1,4-5,10-11,14H2,(H,24,27)