N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-2-methyl-benzenesulfonamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O5S/c1-13-6-7-14(21-16-4-2-3-5-17(16)22(26)24-23-21)10-20(13)31(27,28)25-15-8-9-18-19(11-15)30-12-29-18/h6-11,25H,2-5,12H2,1H3,(H,24,26)