2-[3-(4-methylsulfonylphenyl)phenyl]-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]ethanamide

Systemtic Name: 2-[3-(4-methylsulfonylphenyl)phenyl]-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]ethanamide Openeye Name: 2-[3-(4-methylsulfonylphenyl)phenyl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]acetamide CAS Name: 2-[3-(4-methylsulfonylphenyl)phenyl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]acetamide IUPAC Name: 2-[3-(4-methylsulfonylphenyl)phenyl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]acetamide Traditional Name: N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-2-[3-(4-mesylphenyl)phenyl]acetamide Formula: C26H26N4O4S MolecularWeight: 490.57404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)CC(=O)NCCCNC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)CC(=O)NCCCNC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C26H26N4O4S/c1-35(33,34)21-12-10-19(11-13-21)20-7-4-6-18(16-20)17-24(31)27-14-5-15-28-25-22-8-2-3-9-23(22)26(32)30-29-25/h2-4,6-13,16H,5,14-15,17H2,1H3,(H,27,31)(H,28,29)(H,30,32)