2-methyl-5-[4-[(3-methylphenyl)amino]phthalazin-1-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-[4-[(3-methylphenyl)amino]phthalazin-1-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide Openeye Name: 2-methyl-5-[4-(3-methylanilino)phthalazin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide CAS Name: 2-methyl-5-[4-(3-methylanilino)-1-phthalazinyl]-N-(2-oxolanylmethyl)benzenesulfonamide IUPAC Name: 2-methyl-5-[4-(3-methylanilino)phthalazin-1-yl]-N-(oxolan-2-ylmethyl)benzenesulfonamide Traditional Name: 2-methyl-5-[4-(m-toluidino)phthalazin-1-yl]-N-(tetrahydrofurfuryl)benzenesulfonamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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