5-[4-[(3-chlorophenyl)amino]phthalazin-1-yl]-N,N,2-trimethyl-benzenesulfonamide

Systemtic Name: 5-[4-[(3-chlorophenyl)amino]phthalazin-1-yl]-N,N,2-trimethyl-benzenesulfonamide Openeye Name: 5-[4-(3-chloroanilino)phthalazin-1-yl]-N,N,2-trimethyl-benzenesulfonamide CAS Name: 5-[4-(3-chloroanilino)-1-phthalazinyl]-N,N,2-trimethylbenzenesulfonamide IUPAC Name: 5-[4-(3-chloroanilino)phthalazin-1-yl]-N,N,2-trimethylbenzenesulfonamide Traditional Name: 5-[4-(3-chloroanilino)phthalazin-1-yl]-N,N,2-trimethyl-benzenesulfonamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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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)N(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)N(C)C

InChI

InChI=1S/C23H21ClN4O2S/c1-15-11-12-16(13-21(15)31(29,30)28(2)3)22-19-9-4-5-10-20(19)23(27-26-22)25-18-8-6-7-17(24)14-18/h4-14H,1-3H3,(H,25,27)