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

Systemtic Name: 5-[4-[(3-bromophenyl)amino]phthalazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 5-[4-(3-bromoanilino)-1-phthalazinyl]-2-methyl-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-N-(3-pyridylmethyl)benzenesulfonamide Formula: C27H22BrN5O2S MolecularWeight: 560.46488

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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)NCC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Br)S(=O)(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C27H22BrN5O2S/c1-18-11-12-20(14-25(18)36(34,35)30-17-19-6-5-13-29-16-19)26-23-9-2-3-10-24(23)27(33-32-26)31-22-8-4-7-21(28)15-22/h2-16,30H,17H2,1H3,(H,31,33)