2-[4-[[(4R)-4-methyl-2,5-bis(oxidanylidene)-4-phenethyl-imidazolidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[(4R)-4-methyl-2,5-bis(oxidanylidene)-4-phenethyl-imidazolidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[[(4R)-4-methyl-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[(4R)-4-methyl-2,5-dioxo-4-phenethyl-1-imidazolidinyl]methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[[(4R)-4-methyl-2,5-dioxo-4-phenethylimidazolidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[[(4R)-2,5-diketo-4-methyl-4-phenethyl-imidazolidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C24H28N5O4S+ MolecularWeight: 482.57522

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)CCC4=CC=CC=C4

Isomeric SMILES

C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)CCC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O4S/c1-24(12-11-19-7-3-2-4-8-19)22(30)29(23(31)26-24)18-27-13-15-28(16-14-27)34(32,33)21-10-6-5-9-20(21)17-25/h2-10H,11-16,18H2,1H3,(H,26,31)/p+1/t24-/m1/s1