2-[4-[[3-cyclopentyl-2,4,5-tris(oxidanylidene)imidazolidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[3-cyclopentyl-2,4,5-tris(oxidanylidene)imidazolidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3-cyclopentyl-2,4,5-trioxo-imidazolidin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-cyclopentyl-2,4,5-trioxo-1-imidazolidinyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3-cyclopentyl-2,4,5-triketo-imidazolidin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C20H24N5O5S+ MolecularWeight: 446.50006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCC(C1)N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H23N5O5S/c21-13-15-5-1-4-8-17(15)31(29,30)23-11-9-22(10-12-23)14-24-18(26)19(27)25(20(24)28)16-6-2-3-7-16/h1,4-5,8,16H,2-3,6-7,9-12,14H2/p+1