2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C27H25FN4O3S2 MolecularWeight: 536.640803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H25FN4O3S2/c28-20-13-11-19(12-14-20)26-23-9-2-3-10-24(23)27(31-30-26)36-18-25(33)29-21-7-6-8-22(17-21)37(34,35)32-15-4-1-5-16-32/h2-3,6-14,17H,1,4-5,15-16,18H2,(H,29,33)