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

Systemtic Name: 5-[4-[(3-bromophenyl)amino]phthalazin-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide Openeye Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide CAS Name: 5-[4-(3-bromoanilino)-1-phthalazinyl]-2-methyl-N-(2-oxolanylmethyl)benzenesulfonamide IUPAC Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide Traditional Name: 5-[4-(3-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(=CC=C4)Br)S(=O)(=O)NCC5CCCO5

Isomeric SMILES

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

InChI

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