2-[4-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C21H26N5O5S2+ MolecularWeight: 492.59164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H25N5O5S2/c22-15-18-5-1-2-6-20(18)33(30,31)26-13-11-23(12-14-26)17-24-16-19(7-8-21(24)27)32(28,29)25-9-3-4-10-25/h1-2,5-8,16H,3-4,9-14,17H2/p+1