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

Systemtic Name: 5-[4-[(4-bromophenyl)amino]phthalazin-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide Openeye Name: 5-[4-(4-bromoanilino)phthalazin-1-yl]-2-methyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide CAS Name: 5-[4-(4-bromoanilino)-1-phthalazinyl]-2-methyl-N-(2-oxolanylmethyl)benzenesulfonamide IUPAC Name: 5-[4-(4-bromoanilino)phthalazin-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide Traditional Name: 5-[4-(4-bromoanilino)phthalazin-1-yl]-2-methyl-N-(tetrahydrofurfuryl)benzenesulfonamide Formula: C26H25BrN4O3S MolecularWeight: 553.4707

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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=C(C=C4)Br)S(=O)(=O)NCC5CCCO5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Br)S(=O)(=O)NCC5CCCO5

InChI

InChI=1S/C26H25BrN4O3S/c1-17-8-9-18(15-24(17)35(32,33)28-16-21-5-4-14-34-21)25-22-6-2-3-7-23(22)26(31-30-25)29-20-12-10-19(27)11-13-20/h2-3,6-13,15,21,28H,4-5,14,16H2,1H3,(H,29,31)