1-[3,4-bis(oxidanyl)phenyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C21H26N2O5S/c1-15(2)16-3-6-18(7-4-16)29(27,28)23-11-9-22(10-12-23)14-21(26)17-5-8-19(24)20(25)13-17/h3-8,13,15,24-25H,9-12,14H2,1-2H3/p+1