N-tert-butyl-5-[4-[(3-chlorophenyl)amino]phthalazin-1-yl]-2-methyl-benzenesulfonamide

Systemtic Name: N-tert-butyl-5-[4-[(3-chlorophenyl)amino]phthalazin-1-yl]-2-methyl-benzenesulfonamide Openeye Name: N-tert-butyl-5-[4-(3-chloroanilino)phthalazin-1-yl]-2-methyl-benzenesulfonamide CAS Name: N-tert-butyl-5-[4-(3-chloroanilino)-1-phthalazinyl]-2-methylbenzenesulfonamide IUPAC Name: N-tert-butyl-5-[4-(3-chloroanilino)phthalazin-1-yl]-2-methylbenzenesulfonamide Traditional Name: N-tert-butyl-5-[4-(3-chloroanilino)phthalazin-1-yl]-2-methyl-benzenesulfonamide Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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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)Cl)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Cl)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C25H25ClN4O2S/c1-16-12-13-17(14-22(16)33(31,32)30-25(2,3)4)23-20-10-5-6-11-21(20)24(29-28-23)27-19-9-7-8-18(26)15-19/h5-15,30H,1-4H3,(H,27,29)