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

Systemtic Name: 2-[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5-morpholinosulfonylpyridin-1-ium-2-yl)piperazino]sulfonylbenzonitrile Formula: C20H24N5O5S2+ MolecularWeight: 478.56506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H23N5O5S2/c21-15-17-3-1-2-4-19(17)32(28,29)24-9-7-23(8-10-24)20-6-5-18(16-22-20)31(26,27)25-11-13-30-14-12-25/h1-6,16H,7-14H2/p+1