[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21ClN2O6S MolecularWeight: 404.86574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H21ClN2O6S/c1-11(2)9-18-16(22)19-14(20)10-25-15(21)7-8-26(23,24)13-5-3-12(17)4-6-13/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,22)