2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazino]sulfonylbenzonitrile Formula: C20H24N5O4S2+ MolecularWeight: 462.56566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H23N5O4S2/c21-15-17-5-1-2-6-19(17)31(28,29)25-13-11-23(12-14-25)20-8-7-18(16-22-20)30(26,27)24-9-3-4-10-24/h1-2,5-8,16H,3-4,9-14H2/p+1