[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26N2O6S/c1-30(27,28)17-4-2-3-16(8-17)19(25)29-12-18(24)22-20(26)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15H,5-7,9-12H2,1H3,(H2,22,23,24,26)