2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C19H20ClN4O3S+ MolecularWeight: 419.9051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H19ClN4O3S/c20-17-7-3-4-8-18(17)28(26,27)23-11-9-22(10-12-23)14-24-19(25)16-6-2-1-5-15(16)13-21-24/h1-8,13H,9-12,14H2/p+1