2-phthalazin-1-ylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-phthalazin-1-ylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-phthalazin-1-ylsulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1-phthalazinylthio)-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-phthalazin-1-ylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(phthalazin-1-ylthio)-N-(4-piperidinosulfonylphenyl)acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=CC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3S2/c26-20(15-29-21-19-7-3-2-6-16(19)14-22-24-21)23-17-8-10-18(11-9-17)30(27,28)25-12-4-1-5-13-25/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,23,26)