[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O6S/c1-15-2-4-19(5-3-15)32(29,30)7-6-21(27)31-14-20(26)24-22(28)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h2-5,16-18H,6-14H2,1H3,(H2,24,25,26,28)