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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C=N3

InChI

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