2-methyl-5-(4-methylsulfanylphthalazin-1-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-(4-methylsulfanylphthalazin-1-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 2-methyl-5-(4-methylsulfanylphthalazin-1-yl)-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 2-methyl-5-[4-(methylthio)-1-phthalazinyl]-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 2-methyl-5-(4-methylsulfanylphthalazin-1-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 2-methyl-5-[4-(methylthio)phthalazin-1-yl]-N-(3-pyridylmethyl)benzenesulfonamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC)S(=O)(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC)S(=O)(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H20N4O2S2/c1-15-9-10-17(21-18-7-3-4-8-19(18)22(29-2)26-25-21)12-20(15)30(27,28)24-14-16-6-5-11-23-13-16/h3-13,24H,14H2,1-2H3