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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-[(3-bromophenyl)amino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-benzenesulfonamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(3-bromoanilino)-1-phthalazinyl]-2-methylbenzenesulfonamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methylbenzenesulfonamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C29H23BrN6O2S MolecularWeight: 599.50092

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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=NC6=CC=CC=C6N5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Br)S(=O)(=O)NCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C29H23BrN6O2S/c1-18-13-14-19(15-26(18)39(37,38)31-17-27-33-24-11-4-5-12-25(24)34-27)28-22-9-2-3-10-23(22)29(36-35-28)32-21-8-6-7-20(30)16-21/h2-16,31H,17H2,1H3,(H,32,36)(H,33,34)