3-methyl-4-oxidanylidene-N-(4-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-(4-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[4-(1-piperidylsulfonyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[4-(1-piperidinylsulfonyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(4-piperidinosulfonylphenyl)phthalazine-1-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N4O4S/c1-24-21(27)18-8-4-3-7-17(18)19(23-24)20(26)22-15-9-11-16(12-10-15)30(28,29)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,26)