ethyl 4-[4-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(cyclohexylcarbamoylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(cyclohexylcarbamoylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C22H33N4O6S+ MolecularWeight: 481.58562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C22H32N4O6S/c1-2-32-21(28)17-8-10-19(11-9-17)33(30,31)26-14-12-25(13-15-26)16-20(27)24-22(29)23-18-6-4-3-5-7-18/h8-11,18H,2-7,12-16H2,1H3,(H2,23,24,27,29)/p+1