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

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(2-methyl-5-piperidinosulfonyl-phenyl)phthalazine-1-carboxamide Formula: C26H32N4O4S MolecularWeight: 496.62168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C26H32N4O4S/c1-3-4-8-17-30-26(32)22-12-7-6-11-21(22)24(28-30)25(31)27-23-18-20(14-13-19(23)2)35(33,34)29-15-9-5-10-16-29/h6-7,11-14,18H,3-5,8-10,15-17H2,1-2H3,(H,27,31)