2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C20H22N3O5S+ MolecularWeight: 416.47078

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=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N3O5S/c1-28-15-6-8-16(9-7-15)29(26,27)22-12-10-21(11-13-22)14-23-19(24)17-4-2-3-5-18(17)20(23)25/h2-9H,10-14H2,1H3/p+1