3-butyl-N-[4-methoxy-3-(methylsulfonylamino)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[4-methoxy-3-(methylsulfonylamino)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[3-(methanesulfonamido)-4-methoxy-phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[3-(methanesulfonamido)-4-methoxy-phenyl]phthalazine-1-carboxamide Formula: C21H24N4O5S MolecularWeight: 444.50406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)OC)NS(=O)(=O)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)OC)NS(=O)(=O)C

InChI

InChI=1S/C21H24N4O5S/c1-4-5-12-25-21(27)16-9-7-6-8-15(16)19(23-25)20(26)22-14-10-11-18(30-2)17(13-14)24-31(3,28)29/h6-11,13,24H,4-5,12H2,1-3H3,(H,22,26)