4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one

Systemtic Name: 4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonyl-2-propyl-phthalazin-1-one Openeye Name: 4-(4-benzylsulfonylpiperazine-1-carbonyl)-2-propyl-phthalazin-1-one CAS Name: 4-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-2-propyl-1-phthalazinone IUPAC Name: 4-(4-benzylsulfonylpiperazine-1-carbonyl)-2-propylphthalazin-1-one Traditional Name: 4-(4-benzylsulfonylpiperazine-1-carbonyl)-2-propyl-phthalazin-1-one Formula: C23H26N4O4S MolecularWeight: 454.54194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4S/c1-2-12-27-22(28)20-11-7-6-10-19(20)21(24-27)23(29)25-13-15-26(16-14-25)32(30,31)17-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3