[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C15H20N2O6S/c1-10(2)8-16-15(20)17-13(18)9-23-14(19)11-4-6-12(7-5-11)24(3,21)22/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,20)