N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C23H27N5O4S MolecularWeight: 469.55658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4S/c1-26(2)20-12-11-16(33(31,32)28-13-7-4-8-14-28)15-19(20)24-22(29)21-17-9-5-6-10-18(17)23(30)27(3)25-21/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H,24,29)