2-[4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]piperazino]sulfonylbenzonitrile Formula: C23H28N5O4S+ MolecularWeight: 470.56452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CC=C4O

InChI

InChI=1S/C23H27N5O4S/c24-17-19-5-1-4-8-22(19)33(31,32)28-15-13-27(14-16-28)23(30)18-25-9-11-26(12-10-25)20-6-2-3-7-21(20)29/h1-8,29H,9-16,18H2/p+1