2-methyl-5-[4-[(2-methylphenyl)amino]phthalazin-1-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-[4-[(2-methylphenyl)amino]phthalazin-1-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide Openeye Name: 2-methyl-5-[4-(2-methylanilino)phthalazin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide CAS Name: 2-methyl-5-[4-(2-methylanilino)-1-phthalazinyl]-N-(2-oxolanylmethyl)benzenesulfonamide IUPAC Name: 2-methyl-5-[4-(2-methylanilino)phthalazin-1-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide Traditional Name: 2-methyl-5-[4-(o-toluidino)phthalazin-1-yl]-N-(tetrahydrofurfuryl)benzenesulfonamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4C)S(=O)(=O)NCC5CCCO5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC=C4C)S(=O)(=O)NCC5CCCO5

InChI

InChI=1S/C27H28N4O3S/c1-18-8-3-6-12-24(18)29-27-23-11-5-4-10-22(23)26(30-31-27)20-14-13-19(2)25(16-20)35(32,33)28-17-21-9-7-15-34-21/h3-6,8,10-14,16,21,28H,7,9,15,17H2,1-2H3,(H,29,31)