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

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(2-methyl-5-piperidinosulfonyl-phenyl)-3-propyl-phthalazine-1-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C24H28N4O4S/c1-3-13-28-24(30)20-10-6-5-9-19(20)22(26-28)23(29)25-21-16-18(12-11-17(21)2)33(31,32)27-14-7-4-8-15-27/h5-6,9-12,16H,3-4,7-8,13-15H2,1-2H3,(H,25,29)