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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)NCC5CCCO5

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)NCC5CCCO5

InChI

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