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

Systemtic Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C20H23N4O4S+ MolecularWeight: 415.48602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C20H22N4O4S/c1-28-17-6-8-18(9-7-17)29(26,27)23-12-10-22(11-13-23)15-24-20(25)19-5-3-2-4-16(19)14-21-24/h2-9,14H,10-13,15H2,1H3/p+1